#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r0s s VAL 2 N 0.00 4.49 0.66 9.51 1.01 -1.26 -0.79 120.40 134.02 1r0s s VAL 2 Ca 0.00 1.71 -0.14 0.00 0.00 0.00 0.00 61.98 63.55 1r0s s VAL 2 Cb 0.00 -4.43 -0.00 0.00 0.00 0.00 0.00 36.38 31.95 1r0s s VAL 2 CO 0.00 -0.52 1.08 -2.16 0.00 0.00 0.00 175.10 173.50 1r0s s PRO 3 N 3.71 2.94 0.25 2.72 0.04 -1.26 -4.88 135.00 138.51 1r0s s PRO 3 Ca 0.46 1.19 -0.31 0.00 0.04 0.00 0.00 61.00 62.37 1r0s s PRO 3 Cb -0.12 -1.98 -0.11 0.00 0.04 0.00 0.00 34.50 32.33 1r0s s PRO 3 CO 0.16 -1.12 1.60 0.99 0.04 0.00 0.00 177.00 178.68 1r0s s THR 4 N -2.63 2.21 0.52 1.26 2.01 -0.27 -4.90 115.64 113.83 1r0s s THR 4 Ca 0.63 0.16 -0.18 0.00 0.31 0.00 0.00 61.69 62.61 1r0s s THR 4 Cb -0.17 -3.10 -0.07 0.00 0.01 0.00 0.00 72.50 69.17 1r0s s THR 4 CO 0.45 0.02 1.03 -0.13 -0.69 0.00 0.00 174.62 175.30 1r0s s ARG 5 N 0.15 3.69 -1.57 4.92 0.52 -1.26 -3.92 118.95 121.47 1r0s s ARG 5 Ca 0.66 1.24 -0.11 0.00 -0.52 0.00 0.00 55.73 57.00 1r0s s ARG 5 Cb -0.47 -2.08 0.09 0.00 0.52 0.00 0.00 34.95 33.01 1r0s s ARG 5 CO 0.41 -0.51 0.70 0.39 0.02 0.00 0.00 175.30 176.31 1r0s n GLU 6 N -1.38 -3.68 -0.27 3.54 1.02 -1.26 -4.75 120.64 113.86 1r0s n GLU 6 Ca 0.09 0.43 0.07 0.00 -0.02 0.00 0.00 57.16 57.72 1r0s n GLU 6 Cb 0.53 -4.99 0.18 0.00 -0.02 0.00 0.00 31.44 27.15 1r0s n GLU 6 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 1r0s h LEU 7 N -1.73 -0.29 -0.10 -4.62 5.85 -1.98 -0.24 115.31 112.20 1r0s h LEU 7 Ca -0.60 0.20 -0.00 0.00 0.84 0.00 0.00 57.88 58.31 1r0s h LEU 7 Cb 1.38 0.33 -0.00 0.00 0.37 0.00 0.00 40.66 42.74 1r0s h LEU 7 CO 0.71 -0.18 0.05 -0.08 -0.34 0.00 0.00 178.44 178.60 1r0s h GLU 8 N 0.12 0.13 -0.99 1.25 4.81 -1.94 -0.57 114.58 117.40 1r0s h GLU 8 Ca 0.44 -0.01 0.05 0.00 -0.13 0.00 0.00 59.36 59.71 1r0s h GLU 8 Cb 0.80 -0.03 -0.06 0.00 0.63 0.00 0.00 28.75 30.09 1r0s h GLU 8 CO -0.67 0.16 0.64 -0.91 -0.73 0.00 0.00 179.01 177.50 1r0s h ASN 9 N 0.07 1.05 -0.16 1.04 2.35 -1.46 0.28 115.58 118.74 1r0s h ASN 9 Ca 0.03 -0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.75 1r0s h ASN 9 Cb 0.06 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 38.20 1r0s h ASN 9 CO -0.01 0.70 -0.03 0.58 -1.65 0.00 0.00 177.43 177.02 1r0s h VAL 10 N 1.20 1.28 0.06 2.81 2.07 -0.83 0.34 116.25 123.18 1r0s h VAL 10 Ca 0.41 -0.95 0.01 0.00 0.82 0.00 0.00 66.70 66.99 1r0s h VAL 10 Cb 0.08 1.58 -0.02 0.00 -1.52 0.00 0.00 31.29 31.41 1r0s h VAL 10 CO -0.15 0.28 -0.11 0.15 0.02 0.00 0.00 177.57 177.76 1r0s h PHE 11 N 0.01 -0.29 -0.55 1.57 3.04 -0.89 0.28 116.94 120.11 1r0s h PHE 11 Ca 0.04 0.01 -0.08 0.00 3.98 0.00 0.00 57.97 61.92 1r0s h PHE 11 Cb 0.44 0.12 -0.02 0.00 2.56 0.00 0.00 35.95 39.05 1r0s h PHE 11 CO 0.05 -0.17 0.03 -0.07 -2.02 0.00 0.00 178.31 176.12 1r0s h LEU 12 N -0.22 0.93 -0.11 0.59 3.38 -0.88 -0.97 115.31 118.03 1r0s h LEU 12 Ca 0.02 -0.29 -0.00 0.00 0.09 0.00 0.00 57.88 57.70 1r0s h LEU 12 Cb 0.24 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 1r0s h LEU 12 CO -0.07 0.99 0.06 1.23 0.09 0.00 0.00 178.44 180.75 1r0s h GLY 13 N 0.84 0.16 1.45 0.83 0.00 0.10 -1.76 103.07 104.69 1r0s h GLY 13 Ca 0.16 -0.07 -0.05 0.00 0.00 0.00 0.00 47.33 47.37 1r0s h GLY 13 CO 0.02 0.07 0.06 3.21 0.00 0.00 0.00 176.54 179.90 1r0s h ARG 14 N 0.10 0.68 -0.46 4.80 3.08 -0.92 -1.10 114.38 120.56 1r0s h ARG 14 Ca 0.04 -0.14 -0.08 0.00 0.07 0.00 0.00 59.98 59.87 1r0s h ARG 14 Cb 0.04 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 29.98 1r0s h ARG 14 CO -0.01 0.66 -0.01 0.00 -1.07 0.00 0.00 179.97 179.54 1r0s h LYS 16 N 0.67 0.77 -0.25 0.00 1.63 -1.00 0.53 116.57 118.91 1r0s h LYS 16 Ca 0.13 -0.33 0.02 0.00 -0.85 0.00 0.00 60.65 59.62 1r0s h LYS 16 Cb 0.52 -0.03 -0.02 0.00 -0.60 0.00 0.00 32.23 32.10 1r0s h LYS 16 CO 0.03 0.94 0.10 0.22 -3.45 0.00 0.00 179.45 177.29 1r0s h ASP 17 N 0.56 0.13 0.31 4.20 3.58 -1.16 -2.10 116.42 121.94 1r0s h ASP 17 Ca 0.08 0.02 -0.02 0.00 0.42 0.00 0.00 57.03 57.54 1r0s h ASP 17 Cb 0.71 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.76 1r0s h ASP 17 CO 0.05 0.11 -0.15 0.22 -2.88 0.00 0.00 179.24 176.59 1r0s h TYR 18 N 0.22 -0.38 -0.44 0.28 5.03 -1.01 0.14 116.97 120.81 1r0s h TYR 18 Ca 0.11 -0.01 0.07 0.00 2.58 0.00 0.00 58.73 61.47 1r0s h TYR 18 Cb 0.06 0.13 -0.09 0.00 1.55 0.00 0.00 36.73 38.38 1r0s h TYR 18 CO -0.12 -0.19 -0.47 1.49 -1.32 0.00 0.00 178.16 177.55 1r0s h GLU 19 N -0.49 -0.32 0.12 1.82 4.81 -0.72 -1.79 114.58 118.00 1r0s h GLU 19 Ca -0.04 0.02 -0.27 0.00 -0.13 0.00 0.00 59.36 58.94 1r0s h GLU 19 Cb 0.37 0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.82 1r0s h GLU 19 CO 0.07 -0.21 -1.24 0.82 -0.73 0.00 0.00 179.01 177.72 1r0s h ILE 20 N -0.33 1.50 0.00 2.32 1.08 -1.33 -3.43 117.51 117.32 1r0s h ILE 20 Ca 0.12 -3.09 0.00 0.00 -0.39 0.00 0.00 64.86 61.51 1r0s h ILE 20 Cb 0.59 2.93 0.00 0.00 -3.07 0.00 0.00 36.82 37.27 1r0s h ILE 20 CO -0.60 0.90 0.00 0.35 -0.69 0.00 0.00 178.15 178.10 1r0s n THR 21 N -3.51 0.00 -4.49 -0.27 -2.24 0.48 -5.03 114.28 99.22 1r0s n THR 21 Ca -0.08 -0.37 -0.34 0.00 -2.27 0.00 0.00 64.05 60.99 1r0s n THR 21 Cb 1.02 1.08 -0.11 0.00 -2.10 0.00 0.00 70.33 70.22 1r0s n THR 21 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1r0s s ARG 22 N -0.51 3.10 -1.42 -0.78 1.81 -0.68 -4.60 118.95 115.86 1r0s s ARG 22 Ca 0.00 -0.50 -0.02 0.00 -1.72 0.00 0.00 55.73 53.49 1r0s s ARG 22 Cb 0.00 -2.74 0.01 0.00 -0.45 0.00 0.00 34.95 31.77 1r0s s ARG 22 CO 0.00 0.54 0.15 0.66 -0.68 0.00 0.00 175.30 175.97 1r0s n TYR 23 N 2.61 -1.39 -0.20 -0.53 4.02 -1.26 -4.81 117.16 115.60 1r0s n TYR 23 Ca -0.18 0.13 0.14 0.00 -0.01 0.00 0.00 57.90 57.98 1r0s n TYR 23 Cb 0.53 -3.50 0.47 0.00 -0.02 0.00 0.00 39.34 36.82 1r0s n TYR 23 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 176.86 175.78 1r0s h LEU 24 N -0.32 0.47 -2.75 7.72 3.38 -1.83 -0.58 115.31 121.40 1r0s h LEU 24 Ca -0.42 0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.58 1r0s h LEU 24 Cb 1.30 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.99 1r0s h LEU 24 CO 0.49 0.24 0.00 0.47 0.09 0.00 0.00 178.44 179.73 1r0s n ASP 25 N -4.50 2.91 -0.06 -0.43 8.00 -1.26 -4.65 116.55 116.56 1r0s n ASP 25 Ca 0.15 -1.96 -0.09 0.00 0.71 0.00 0.00 54.79 53.60 1r0s n ASP 25 Cb 0.51 -0.23 -0.05 0.00 -0.02 0.00 0.00 41.12 41.33 1r0s n ASP 25 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 1r0s n ILE 26 N 0.60 0.67 -4.38 0.53 5.41 -0.44 -5.03 119.36 116.72 1r0s n ILE 26 Ca 0.12 -0.23 -0.24 0.00 1.00 0.00 0.00 62.75 63.40 1r0s n ILE 26 Cb 0.43 -1.10 -0.13 0.00 -0.71 0.00 0.00 39.64 38.13 1r0s n ILE 26 CO 0.00 0.00 0.00 -0.76 0.00 0.00 0.00 176.55 175.79 1r0s s LEU 27 N -5.93 2.26 0.68 1.39 1.43 -0.36 -4.77 118.68 113.38 1r0s s LEU 27 Ca -0.16 -0.63 -0.13 0.00 -1.03 0.00 0.00 54.13 52.18 1r0s s LEU 27 Cb 0.05 -0.88 0.01 0.00 0.03 0.00 0.00 46.19 45.39 1r0s s LEU 27 CO 0.26 0.08 1.08 -2.16 0.23 0.00 0.00 176.35 175.84 1r0s s PRO 28 N -1.67 2.80 0.65 1.29 0.04 -1.26 -4.68 135.00 132.17 1r0s s PRO 28 Ca 0.06 1.21 -0.13 0.00 0.04 0.00 0.00 61.00 62.19 1r0s s PRO 28 Cb -0.10 -1.96 -0.01 0.00 0.04 0.00 0.00 34.50 32.47 1r0s s PRO 28 CO 0.03 -1.22 1.05 1.03 0.04 0.00 0.00 177.00 177.93 1r0s s ARG 29 N -4.46 3.16 0.02 4.56 1.81 -1.26 -4.97 118.95 117.81 1r0s s ARG 29 Ca 0.63 1.01 -0.04 0.00 -1.72 0.00 0.00 55.73 55.61 1r0s s ARG 29 Cb -0.17 -2.02 -0.04 0.00 -0.45 0.00 0.00 34.95 32.26 1r0s s ARG 29 CO 0.46 -0.92 0.24 0.08 -0.68 0.00 0.00 175.30 174.48 1r0s s VAL 30 N -2.87 5.36 0.06 3.52 1.01 -1.26 -5.02 120.40 121.20 1r0s s VAL 30 Ca 0.59 -0.05 -0.16 0.00 0.00 0.00 0.00 61.98 62.36 1r0s s VAL 30 Cb -0.14 -3.57 -0.17 0.00 0.00 0.00 0.00 36.38 32.50 1r0s s VAL 30 CO 0.48 0.29 1.26 0.03 0.00 0.00 0.00 175.10 177.16 1r0s h ARG 31 N 3.69 0.60 -6.99 2.72 2.47 -1.95 -3.45 114.38 111.48 1r0s h ARG 31 Ca -0.49 -0.48 -0.54 0.00 -1.26 0.00 0.00 59.98 57.21 1r0s h ARG 31 Cb 1.19 0.10 0.12 0.00 -1.65 0.00 0.00 29.97 29.72 1r0s h ARG 31 CO 0.69 1.10 0.69 -1.12 0.56 0.00 0.00 179.97 181.90 1r0s s SER 32 N -6.78 5.86 0.57 7.04 0.01 -1.26 -4.99 113.70 114.14 1r0s s SER 32 Ca -0.12 2.89 -0.04 0.00 1.31 0.00 0.00 55.95 60.00 1r0s s SER 32 Cb 0.06 -2.65 0.02 0.00 0.21 0.00 0.00 66.02 63.66 1r0s s SER 32 CO 0.85 -1.19 0.85 1.51 0.41 0.00 0.00 173.24 175.67 1r0s s ASP 33 N -0.55 5.48 0.29 2.44 -4.77 -1.26 -4.85 116.67 113.44 1r0s s ASP 33 Ca 0.62 0.48 0.03 0.00 -3.30 0.00 0.00 52.55 50.38 1r0s s ASP 33 Cb -0.43 -1.46 0.65 0.00 -1.09 0.00 0.00 42.92 40.59 1r0s s ASP 33 CO 0.55 -1.08 1.79 0.00 0.70 0.00 0.00 175.17 177.13 1r0s h SER 35 N 0.79 0.64 -0.16 0.00 4.64 -1.97 -2.21 113.55 115.28 1r0s h SER 35 Ca 0.54 -0.12 -0.19 0.00 -0.47 0.00 0.00 61.79 61.55 1r0s h SER 35 Cb 0.75 -0.17 0.01 0.00 -0.31 0.00 0.00 62.40 62.68 1r0s h SER 35 CO -0.35 0.67 -0.62 0.00 -0.87 0.00 0.00 176.83 175.66 1r0s h ALA 36 N 1.41 0.30 -0.80 5.18 0.00 -1.71 -2.57 119.26 121.07 1r0s h ALA 36 Ca 0.14 -0.54 0.03 0.00 0.00 0.00 0.00 54.91 54.54 1r0s h ALA 36 Cb 0.32 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.03 1r0s h ALA 36 CO 0.00 0.56 0.51 -0.07 0.00 0.00 0.00 179.25 180.26 1r0s h LEU 37 N 0.41 0.85 -0.56 0.00 3.38 -1.23 -1.78 115.31 116.37 1r0s h LEU 37 Ca -0.03 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1r0s h LEU 37 Cb 1.25 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.79 1r0s h LEU 37 CO 0.13 0.58 0.37 -0.25 0.09 0.00 0.00 178.44 179.36 1r0s h TRP 38 N 0.99 0.71 -0.81 1.13 2.91 -1.32 -1.59 115.95 117.98 1r0s h TRP 38 Ca 0.32 0.01 0.03 0.00 1.13 0.00 0.00 58.89 60.39 1r0s h TRP 38 Cb 0.02 -0.24 -0.05 0.00 -0.51 0.00 0.00 29.16 28.38 1r0s h TRP 38 CO -0.03 0.46 0.51 0.87 -1.03 0.00 0.00 178.44 179.22 1r0s h LYS 39 N 0.76 0.97 -0.50 2.65 1.57 -1.00 -0.77 116.57 120.25 1r0s h LYS 39 Ca 0.21 -0.06 -0.06 0.00 -1.87 0.00 0.00 60.65 58.87 1r0s h LYS 39 Cb -0.08 -0.22 -0.02 0.00 0.08 0.00 0.00 32.23 32.00 1r0s h LYS 39 CO -0.04 0.64 0.09 -0.44 -0.57 0.00 0.00 179.45 179.13 1r0s h ASP 40 N 1.00 0.79 -0.06 0.86 3.32 -0.91 -2.09 116.42 119.32 1r0s h ASP 40 Ca 0.33 -0.25 -0.01 0.00 0.02 0.00 0.00 57.03 57.11 1r0s h ASP 40 Cb 0.02 -0.21 -0.00 0.00 0.22 0.00 0.00 39.33 39.36 1r0s h ASP 40 CO -0.12 0.84 0.00 0.15 -1.72 0.00 0.00 179.24 178.40 1r0s h PHE 41 N 0.70 0.11 -0.88 4.55 3.57 -1.10 -2.40 116.94 121.49 1r0s h PHE 41 Ca 0.15 -0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.64 1r0s h PHE 41 Cb 0.38 -0.03 -0.04 0.00 2.79 0.00 0.00 35.95 39.05 1r0s h PHE 41 CO 0.03 0.35 0.57 0.35 -2.23 0.00 0.00 178.31 177.38 1r0s h PHE 42 N -0.17 1.12 -0.09 0.41 3.57 -1.13 -2.18 116.94 118.46 1r0s h PHE 42 Ca 0.02 0.02 -0.09 0.00 3.53 0.00 0.00 57.97 61.45 1r0s h PHE 42 Cb 0.31 -0.38 -0.01 0.00 2.79 0.00 0.00 35.95 38.66 1r0s h PHE 42 CO 0.02 0.71 -0.35 -0.22 -2.23 0.00 0.00 178.31 176.25 1r0s h LYS 43 N 1.20 0.18 -0.85 1.11 3.64 -1.31 -0.92 116.57 119.63 1r0s h LYS 43 Ca 0.32 -0.07 0.08 0.00 -1.27 0.00 0.00 60.65 59.71 1r0s h LYS 43 Cb -0.12 -0.01 -0.07 0.00 -0.41 0.00 0.00 32.23 31.63 1r0s h LYS 43 CO -0.07 0.51 0.51 0.00 -2.27 0.00 0.00 179.45 178.13 1r0s h ALA 44 N 1.49 1.18 0.00 5.00 0.00 -0.86 -3.33 119.26 122.74 1r0s h ALA 44 Ca 0.02 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1r0s h ALA 44 Cb 0.70 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1r0s h ALA 44 CO 0.05 0.20 -1.11 1.97 0.00 0.00 0.00 179.25 180.36 1r0s n PHE 45 N -4.67 0.00 -1.86 0.00 -1.74 -1.20 -4.77 117.46 103.22 1r0s n PHE 45 Ca 0.13 0.00 -0.34 0.00 -0.56 0.00 0.00 57.45 56.68 1r0s n PHE 45 Cb 0.22 -0.12 0.04 0.00 1.52 0.00 0.00 39.48 41.15 1r0s n PHE 45 CO 0.00 0.00 0.00 -1.54 -0.56 0.00 0.00 176.76 174.66 1r0s s SER 46 N -2.53 5.11 -1.51 5.98 1.04 -0.35 -3.31 113.70 118.13 1r0s s SER 46 Ca -0.01 2.16 0.00 0.00 0.48 0.00 0.00 55.95 58.58 1r0s s SER 46 Cb 0.04 -2.57 0.00 0.00 0.10 0.00 0.00 66.02 63.59 1r0s s SER 46 CO 0.27 -1.64 0.00 0.49 0.98 0.00 0.00 173.24 173.34 1r0s n PHE 47 N -2.08 -1.14 -4.16 5.02 3.72 -0.51 -4.91 117.46 113.40 1r0s n PHE 47 Ca 0.12 0.00 -0.16 0.00 -0.05 0.00 0.00 57.45 57.36 1r0s n PHE 47 Cb 0.51 -3.49 -0.13 0.00 -0.94 0.00 0.00 39.48 35.43 1r0s n PHE 47 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 1r0s s LYS 48 N -5.00 0.55 0.13 -1.08 1.02 -1.21 -4.61 119.74 109.53 1r0s s LYS 48 Ca 0.00 -0.48 -0.31 0.00 0.02 0.00 0.00 55.97 55.20 1r0s s LYS 48 Cb 0.00 -0.46 -0.09 0.00 -0.52 0.00 0.00 37.83 36.76 1r0s s LYS 48 CO 0.00 0.11 1.57 1.21 -0.92 0.00 0.00 175.35 177.32 1r0s s ASN 49 N -0.80 6.62 0.47 2.83 3.84 -1.26 -3.21 114.94 123.43 1r0s s ASN 49 Ca -0.02 2.53 0.29 0.00 0.21 0.00 0.00 52.86 55.87 1r0s s ASN 49 Cb -0.06 -2.58 1.37 0.00 -0.55 0.00 0.00 41.25 39.43 1r0s s ASN 49 CO 0.00 -0.82 1.74 1.55 -2.79 0.00 0.00 177.10 176.78 1r0s h PRO 50 N 7.30 0.16 0.00 0.43 0.13 -1.92 0.13 132.00 138.23 1r0s h PRO 50 Ca -0.42 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 1r0s h PRO 50 Cb 1.20 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.30 1r0s h PRO 50 CO 0.91 0.11 0.00 0.00 -0.23 0.00 0.00 178.00 178.79 1r0s n ASP 52 N -1.19 3.04 -4.80 0.00 8.00 0.46 -4.61 116.55 117.45 1r0s n ASP 52 Ca 0.12 -1.97 -0.32 0.00 0.71 0.00 0.00 54.79 53.33 1r0s n ASP 52 Cb 0.13 -0.06 0.04 0.00 -0.02 0.00 0.00 41.12 41.22 1r0s n ASP 52 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1r0s s LEU 53 N -1.82 3.33 0.00 0.64 1.43 -1.19 -5.01 118.68 116.05 1r0s s LEU 53 Ca 0.29 1.81 -0.01 0.00 -1.03 0.00 0.00 54.13 55.19 1r0s s LEU 53 Cb 0.20 -4.53 0.01 0.00 0.03 0.00 0.00 46.19 41.90 1r0s s LEU 53 CO 0.29 -1.45 0.43 -0.90 0.23 0.00 0.00 176.35 174.96 1r0s n ASP 54 N -2.58 -1.21 0.29 2.29 5.68 -1.26 -3.25 116.55 116.52 1r0s n ASP 54 Ca 0.09 -2.76 0.18 0.00 -0.50 0.00 0.00 54.79 51.79 1r0s n ASP 54 Cb 0.53 2.28 0.90 0.00 -1.14 0.00 0.00 41.12 43.68 1r0s n ASP 54 CO 0.00 0.00 0.00 -0.07 -1.33 0.00 0.00 177.20 175.80 1r0s h LEU 55 N 0.00 0.00 -0.11 -2.12 4.07 -1.86 -1.72 115.31 113.57 1r0s h LEU 55 Ca -0.25 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.71 1r0s h LEU 55 Cb 1.09 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.83 1r0s h LEU 55 CO 0.34 0.00 -0.45 0.61 -1.08 0.00 0.00 178.44 177.86 1r0s n GLY 56 N -1.25 -1.11 0.20 0.83 0.00 -1.26 -4.43 105.19 98.16 1r0s n GLY 56 Ca -0.01 -0.36 -0.04 0.00 0.00 0.00 0.00 46.02 45.61 1r0s n GLY 56 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1r0s h SER 57 N 0.26 0.28 -0.63 1.61 0.02 -1.65 -3.02 113.55 110.42 1r0s h SER 57 Ca 0.00 0.04 0.00 0.00 -0.84 0.00 0.00 61.79 60.99 1r0s h SER 57 Cb 0.50 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.03 1r0s h SER 57 CO 0.00 0.20 0.00 -1.22 -1.14 0.00 0.00 176.83 174.67 1r0s n TYR 58 N -4.94 0.84 -0.23 3.45 4.01 -1.26 -4.59 117.16 114.45 1r0s n TYR 58 Ca 0.04 -0.42 0.03 0.00 -0.16 0.00 0.00 57.90 57.39 1r0s n TYR 58 Cb 0.15 0.00 0.14 0.00 -0.31 0.00 0.00 39.34 39.32 1r0s n TYR 58 CO 0.00 0.00 0.00 -0.22 -0.46 0.00 0.00 176.86 176.18 1r0s h LYS 59 N 3.86 0.35 -0.47 -0.72 3.64 -1.75 -1.58 116.57 119.89 1r0s h LYS 59 Ca 0.00 -0.02 -0.12 0.00 -1.27 0.00 0.00 60.65 59.24 1r0s h LYS 59 Cb 0.88 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.60 1r0s h LYS 59 CO 0.00 0.23 -0.17 -0.44 -2.27 0.00 0.00 179.45 176.80 1r0s h ASP 60 N 0.36 0.93 -0.14 4.20 3.32 -1.83 -1.38 116.42 121.88 1r0s h ASP 60 Ca 0.36 -0.33 0.02 0.00 0.02 0.00 0.00 57.03 57.10 1r0s h ASP 60 Cb 0.53 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.81 1r0s h ASP 60 CO -0.39 1.08 0.03 0.15 -1.72 0.00 0.00 179.24 178.39 1r0s h PHE 61 N 0.81 0.05 0.00 4.55 3.57 -1.66 -1.22 116.94 123.04 1r0s h PHE 61 Ca 0.12 0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.57 1r0s h PHE 61 Cb 0.72 -0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.45 1r0s h PHE 61 CO 0.04 0.02 -0.27 0.74 -2.23 0.00 0.00 178.31 176.61 1r0s h PHE 62 N 0.09 0.00 -0.35 0.41 0.04 -1.14 -0.50 116.94 115.49 1r0s h PHE 62 Ca 0.06 0.00 -0.04 0.00 2.80 0.00 0.00 57.97 60.80 1r0s h PHE 62 Cb 0.05 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.19 1r0s h PHE 62 CO -0.12 0.27 0.07 1.15 -0.60 0.00 0.00 178.31 179.08 1r0s h THR 63 N 0.00 1.23 -0.44 -1.55 2.02 -0.50 -0.28 112.91 113.38 1r0s h THR 63 Ca -0.00 -0.78 -0.12 0.00 0.77 0.00 0.00 66.41 66.28 1r0s h THR 63 Cb 0.56 1.08 -0.01 0.00 -1.74 0.00 0.00 68.15 68.03 1r0s h THR 63 CO 0.04 0.26 -0.21 0.28 0.37 0.00 0.00 175.52 176.26 1r0s h SER 64 N 0.41 0.90 0.78 4.18 0.02 -0.46 -3.27 113.55 116.11 1r0s h SER 64 Ca 0.11 -0.33 0.00 0.00 -0.84 0.00 0.00 61.79 60.73 1r0s h SER 64 Cb 0.32 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 62.61 1r0s h SER 64 CO 0.00 1.08 -0.48 0.00 -1.14 0.00 0.00 176.83 176.30 1r0s n ALA 65 N -2.51 3.05 -1.97 3.77 0.00 -0.27 -4.68 120.51 117.90 1r0s n ALA 65 Ca 0.00 -0.26 -0.42 0.00 0.00 0.00 0.00 53.44 52.77 1r0s n ALA 65 Cb 0.44 -1.20 -0.03 0.00 0.00 0.00 0.00 19.45 18.66 1r0s n ALA 65 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 1r0s s GLN 66 N -3.08 4.23 0.08 0.00 2.00 -0.13 -4.60 119.66 118.16 1r0s s GLN 66 Ca 0.09 2.32 0.05 0.00 -2.00 0.00 0.00 55.36 55.82 1r0s s GLN 66 Cb 0.15 -3.17 -0.04 0.00 0.80 0.00 0.00 33.01 30.75 1r0s s GLN 66 CO 0.68 -0.58 -0.00 -0.65 -0.50 0.00 0.00 175.29 174.24 1r0s s GLN 67 N 1.15 2.57 0.31 1.67 -0.21 -1.26 -5.02 119.66 118.87 1r0s s GLN 67 Ca 0.69 -0.82 -0.29 0.00 0.02 0.00 0.00 55.36 54.97 1r0s s GLN 67 Cb -0.43 -2.55 -0.10 0.00 1.00 0.00 0.00 33.01 30.93 1r0s s GLN 67 CO 0.31 0.55 1.23 -0.65 -2.12 0.00 0.00 175.29 174.61 1r0s s GLN 68 N -2.24 4.46 0.03 2.91 -0.21 -1.26 -5.00 119.66 118.34 1r0s s GLN 68 Ca 0.25 2.07 0.02 0.00 0.02 0.00 0.00 55.36 57.72 1r0s s GLN 68 Cb -0.12 -3.11 -0.04 0.00 1.00 0.00 0.00 33.01 30.74 1r0s s GLN 68 CO 0.18 -0.05 0.06 -0.51 -2.12 0.00 0.00 175.29 172.84 1r0s s LEU 69 N -1.66 3.74 0.36 2.90 1.43 -1.26 -4.59 118.68 119.60 1r0s s LEU 69 Ca 0.47 0.04 -0.28 0.00 -1.03 0.00 0.00 54.13 53.33 1r0s s LEU 69 Cb -0.37 -2.27 -0.11 0.00 0.03 0.00 0.00 46.19 43.47 1r0s s LEU 69 CO 0.49 0.24 1.44 -2.16 0.23 0.00 0.00 176.35 176.58 1r0s s PRO 70 N -1.94 4.18 0.41 1.29 0.04 -1.26 -4.80 135.00 132.92 1r0s s PRO 70 Ca 0.24 2.47 -0.27 0.00 0.04 0.00 0.00 61.00 63.48 1r0s s PRO 70 Cb -0.12 -3.00 -0.10 0.00 0.04 0.00 0.00 34.50 31.32 1r0s s PRO 70 CO 0.16 -0.44 1.47 0.21 0.04 0.00 0.00 177.00 178.44 1r0s s LYS 71 N -1.88 3.90 -1.08 4.56 2.20 -1.26 -2.79 119.74 123.40 1r0s s LYS 71 Ca 0.52 2.53 0.00 0.00 -0.36 0.00 0.00 55.97 58.67 1r0s s LYS 71 Cb -0.45 -2.83 0.00 0.00 -1.51 0.00 0.00 37.83 33.05 1r0s s LYS 71 CO 0.59 -0.68 0.00 0.09 -0.36 0.00 0.00 175.35 174.99 1r0s n ASN 72 N 0.15 -5.46 0.00 1.43 3.02 -0.58 -4.82 115.26 109.00 1r0s n ASN 72 Ca 0.03 0.25 0.00 0.00 -0.03 0.00 0.00 54.58 54.83 1r0s n ASN 72 Cb 0.40 -3.86 0.00 0.00 -0.61 0.00 0.00 39.78 35.71 1r0s n ASN 72 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1r0s n LYS 73 N -1.06 0.16 -2.64 3.52 5.02 -1.12 -4.76 118.16 117.28 1r0s n LYS 73 Ca -0.10 -0.64 -0.41 0.00 -2.02 0.00 0.00 58.31 55.14 1r0s n LYS 73 Cb 0.54 -0.87 -0.05 0.00 -0.02 0.00 0.00 35.03 34.63 1r0s n LYS 73 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1r0s s VAL 74 N -0.23 4.08 0.04 -0.18 1.01 -1.26 -0.88 120.40 122.97 1r0s s VAL 74 Ca 0.00 1.88 0.04 0.00 0.00 0.00 0.00 61.98 63.90 1r0s s VAL 74 Cb 0.00 -4.20 -0.02 0.00 0.00 0.00 0.00 36.38 32.16 1r0s s VAL 74 CO 0.00 0.36 -0.12 -0.32 0.00 0.00 0.00 175.10 175.02 1r0s s MET 75 N -0.61 0.83 0.16 2.72 0.00 -0.63 -1.90 119.30 119.86 1r0s s MET 75 Ca 0.46 -0.71 0.11 0.00 0.00 0.00 0.00 55.69 55.55 1r0s s MET 75 Cb -0.27 -0.80 -0.04 0.00 0.00 0.00 0.00 34.83 33.72 1r0s s MET 75 CO 0.33 0.19 -0.24 -0.06 0.00 0.00 0.00 175.02 175.24 1r0s s PHE 76 N -0.87 2.33 0.02 4.11 0.08 0.54 -4.51 117.98 119.68 1r0s s PHE 76 Ca -0.00 -0.36 -0.05 0.00 0.12 0.00 0.00 56.93 56.64 1r0s s PHE 76 Cb -0.08 -1.20 -0.01 0.00 -0.57 0.00 0.00 43.02 41.17 1r0s s PHE 76 CO 0.01 0.43 0.09 1.67 -0.10 0.00 0.00 175.22 177.33 1r0s s TRP 77 N -1.41 0.14 -0.09 0.36 1.48 -1.26 -0.41 118.94 117.75 1r0s s TRP 77 Ca 0.18 -0.35 -0.03 0.00 -1.06 0.00 0.00 56.10 54.84 1r0s s TRP 77 Cb -0.09 -0.11 0.05 0.00 -1.16 0.00 0.00 33.47 32.16 1r0s s TRP 77 CO 0.09 -0.30 0.12 -1.12 -4.06 0.00 0.00 176.95 171.67 1r0s s SER 78 N -1.70 1.11 -0.25 -2.66 0.01 0.32 -4.88 113.70 105.65 1r0s s SER 78 Ca -0.11 0.10 0.00 0.00 1.31 0.00 0.00 55.95 57.25 1r0s s SER 78 Cb -0.05 0.08 0.00 0.00 0.21 0.00 0.00 66.02 66.25 1r0s s SER 78 CO -0.01 -0.26 0.00 0.61 0.41 0.00 0.00 173.24 173.98 1r0s n GLY 79 N 5.31 0.43 2.65 3.44 0.00 -1.26 -2.69 105.19 113.07 1r0s n GLY 79 Ca -0.04 -0.09 -0.09 0.00 0.00 0.00 0.00 46.02 45.80 1r0s n GLY 79 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1r0s n VAL 80 N -2.46 1.38 -0.15 1.61 0.24 -1.26 -4.76 118.33 112.93 1r0s n VAL 80 Ca -0.02 -3.29 -0.10 0.00 -2.04 0.00 0.00 64.34 58.88 1r0s n VAL 80 Cb 0.31 0.57 -0.08 0.00 -1.47 0.00 0.00 33.84 33.17 1r0s n VAL 80 CO 0.00 0.00 0.00 0.22 -2.14 0.00 0.00 176.83 174.91 1r0s h TYR 81 N 2.73 -1.34 -0.35 6.34 5.03 -1.96 -1.11 116.97 126.31 1r0s h TYR 81 Ca -0.03 0.07 0.00 0.00 2.58 0.00 0.00 58.73 61.35 1r0s h TYR 81 Cb 1.22 0.64 -0.02 0.00 1.55 0.00 0.00 36.73 40.12 1r0s h TYR 81 CO 0.56 -0.36 0.23 -0.44 -1.32 0.00 0.00 178.16 176.83 1r0s h ASP 82 N -0.25 0.41 -0.55 -2.11 3.32 -1.99 -1.99 116.42 113.26 1r0s h ASP 82 Ca 0.07 -0.02 -0.04 0.00 0.02 0.00 0.00 57.03 57.06 1r0s h ASP 82 Cb 0.43 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 39.85 1r0s h ASP 82 CO -0.51 0.31 0.19 -0.33 -1.72 0.00 0.00 179.24 177.19 1r0s h GLU 83 N 0.48 0.84 -0.56 3.56 3.07 -1.95 0.15 114.58 120.16 1r0s h GLU 83 Ca 0.13 -0.17 -0.05 0.00 -0.50 0.00 0.00 59.36 58.77 1r0s h GLU 83 Cb -0.04 -0.13 -0.02 0.00 -0.84 0.00 0.00 28.75 27.72 1r0s h GLU 83 CO -0.03 0.75 0.16 0.00 -1.40 0.00 0.00 179.01 178.49 1r0s h ALA 84 N 1.05 0.73 -0.24 3.43 0.00 -1.13 -1.49 119.26 121.62 1r0s h ALA 84 Ca 0.18 -0.21 -0.15 0.00 0.00 0.00 0.00 54.91 54.73 1r0s h ALA 84 Cb 0.24 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1r0s h ALA 84 CO -0.01 0.41 -0.49 0.45 0.00 0.00 0.00 179.25 179.62 1r0s h HIS 85 N 0.79 0.78 -0.31 0.00 3.86 -1.14 -0.21 115.15 118.93 1r0s h HIS 85 Ca 0.18 -0.26 -0.03 0.00 -1.16 0.00 0.00 60.37 59.11 1r0s h HIS 85 Cb 0.31 -0.16 -0.01 0.00 1.06 0.00 0.00 27.41 28.61 1r0s h HIS 85 CO 0.02 1.00 0.09 -0.44 0.86 0.00 0.00 177.93 179.46 1r0s h ASP 86 N 0.50 0.46 -0.34 2.45 3.32 -0.58 -1.10 116.42 121.13 1r0s h ASP 86 Ca 0.02 -0.21 -0.01 0.00 0.02 0.00 0.00 57.03 56.85 1r0s h ASP 86 Cb 1.03 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 40.44 1r0s h ASP 86 CO 0.10 0.55 0.16 0.22 -1.72 0.00 0.00 179.24 178.55 1r0s h TYR 87 N 0.34 0.50 -0.64 4.55 3.20 -1.21 -1.70 116.97 122.00 1r0s h TYR 87 Ca 0.10 -0.02 0.10 0.00 3.14 0.00 0.00 58.73 62.04 1r0s h TYR 87 Cb 0.26 -0.15 -0.04 0.00 1.54 0.00 0.00 36.73 38.33 1r0s h TYR 87 CO 0.01 0.43 0.43 0.00 -1.64 0.00 0.00 178.16 177.39 1r0s h ALA 88 N 1.02 1.96 -5.54 1.82 0.00 -0.89 -3.42 119.26 114.20 1r0s h ALA 88 Ca 0.12 -0.01 -0.28 0.00 0.00 0.00 0.00 54.91 54.74 1r0s h ALA 88 Cb 0.12 -0.10 0.19 0.00 0.00 0.00 0.00 17.79 17.99 1r0s h ALA 88 CO -0.01 -0.10 -0.85 -1.71 0.00 0.00 0.00 179.25 176.58 1r0s n ASN 89 N -4.48 -5.84 -4.08 0.00 4.05 -0.43 -1.33 115.26 103.15 1r0s n ASN 89 Ca 0.11 -0.72 -0.29 0.00 0.45 0.00 0.00 54.58 54.12 1r0s n ASN 89 Cb 0.36 -5.07 -0.04 0.00 1.23 0.00 0.00 39.78 36.27 1r0s n ASN 89 CO 0.00 0.00 0.00 0.41 -3.05 0.00 0.00 177.26 174.62 1r0s n THR 90 N -3.43 -2.21 -0.10 -0.44 -1.04 -1.26 -1.41 114.28 104.39 1r0s n THR 90 Ca -0.11 -0.37 0.00 0.00 -2.04 0.00 0.00 64.05 61.53 1r0s n THR 90 Cb 0.63 -2.14 0.00 0.00 -1.82 0.00 0.00 70.33 67.00 1r0s n THR 90 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1r0s n GLY 91 N -1.92 2.27 0.20 3.41 0.00 -1.17 -4.90 105.19 103.08 1r0s n GLY 91 Ca -0.21 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.64 1r0s n GLY 91 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1r0s h ARG 92 N 2.48 0.70 0.00 1.61 3.08 -1.23 -3.39 114.38 117.64 1r0s h ARG 92 Ca 0.00 -0.55 -0.34 0.00 0.07 0.00 0.00 59.98 59.15 1r0s h ARG 92 Cb 0.00 0.11 -0.05 0.00 0.08 0.00 0.00 29.97 30.11 1r0s h ARG 92 CO 0.00 1.17 -1.98 1.17 -1.07 0.00 0.00 179.97 179.26 1r0s n LYS 93 N -4.07 0.57 -4.26 0.04 4.81 -0.45 -5.03 118.16 109.77 1r0s n LYS 93 Ca -0.07 0.35 -0.14 0.00 -0.87 0.00 0.00 58.31 57.58 1r0s n LYS 93 Cb 0.68 -1.56 -0.10 0.00 0.02 0.00 0.00 35.03 34.06 1r0s n LYS 93 CO 0.00 0.00 0.00 0.71 1.17 0.00 0.00 177.40 179.28 1r0s s TYR 94 N -2.49 1.31 -0.13 5.64 2.02 -0.81 -4.94 117.35 117.94 1r0s s TYR 94 Ca -0.34 -1.05 -0.06 0.00 -0.37 0.00 0.00 57.07 55.25 1r0s s TYR 94 Cb 0.11 -0.75 -0.04 0.00 -0.40 0.00 0.00 41.96 40.88 1r0s s TYR 94 CO 0.50 -0.23 0.08 0.42 -1.57 0.00 0.00 175.55 174.75 1r0s s ILE 95 N -3.66 4.96 0.34 2.71 -1.09 -0.06 -3.07 121.20 121.32 1r0s s ILE 95 Ca 0.28 0.01 0.08 0.00 -2.23 0.00 0.00 60.65 58.79 1r0s s ILE 95 Cb 0.06 -3.17 -0.07 0.00 -1.58 0.00 0.00 42.46 37.71 1r0s s ILE 95 CO 0.07 0.56 -0.06 0.42 -1.23 0.00 0.00 174.94 174.69 1r0s s THR 96 N -0.51 2.00 0.32 2.92 -4.23 -1.26 -1.60 115.64 113.28 1r0s s THR 96 Ca 0.11 -2.15 0.03 0.00 -1.18 0.00 0.00 61.69 58.50 1r0s s THR 96 Cb -0.12 -2.65 0.29 0.00 1.34 0.00 0.00 72.50 71.36 1r0s s THR 96 CO 0.02 -0.19 1.92 0.25 -0.54 0.00 0.00 174.62 176.08 1r0s h LEU 97 N 2.06 0.81 -0.98 4.79 5.85 -1.98 -1.02 115.31 124.84 1r0s h LEU 97 Ca -0.42 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.31 1r0s h LEU 97 Cb 1.24 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 42.11 1r0s h LEU 97 CO 0.71 0.51 0.00 -0.62 -0.34 0.00 0.00 178.44 178.70 1r0s n GLU 98 N -4.49 0.16 0.05 1.25 4.71 -1.26 -1.85 120.64 119.21 1r0s n GLU 98 Ca 0.13 0.52 0.12 0.00 -0.01 0.00 0.00 57.16 57.91 1r0s n GLU 98 Cb 0.23 -1.89 0.13 0.00 -1.01 0.00 0.00 31.44 28.90 1r0s n GLU 98 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 1r0s n ASP 99 N -2.20 0.67 -4.85 1.62 8.00 -0.39 -2.77 116.55 116.63 1r0s n ASP 99 Ca 0.01 0.03 -0.31 0.00 0.71 0.00 0.00 54.79 55.23 1r0s n ASP 99 Cb 0.13 0.34 0.03 0.00 -0.02 0.00 0.00 41.12 41.60 1r0s n ASP 99 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1r0s s THR 100 N -3.18 4.39 0.13 -3.53 -4.23 -0.77 -4.77 115.64 103.68 1r0s s THR 100 Ca 0.05 0.79 -0.28 0.00 -1.18 0.00 0.00 61.69 61.07 1r0s s THR 100 Cb 0.14 -3.65 -0.05 0.00 1.34 0.00 0.00 72.50 70.28 1r0s s THR 100 CO 0.74 -1.00 1.60 0.25 -0.54 0.00 0.00 174.62 175.67 1r0s h LEU 101 N -0.46 -1.15 -1.26 4.79 5.85 -1.85 0.30 115.31 121.53 1r0s h LEU 101 Ca -0.44 0.15 -0.04 0.00 0.84 0.00 0.00 57.88 58.40 1r0s h LEU 101 Cb 1.20 0.47 -0.02 0.00 0.37 0.00 0.00 40.66 42.67 1r0s h LEU 101 CO 0.60 -0.41 0.11 1.55 -0.34 0.00 0.00 178.44 179.95 1r0s h PRO 102 N -0.49 0.62 -0.26 5.25 0.13 -1.89 -0.15 132.00 135.22 1r0s h PRO 102 Ca 0.07 -0.10 -0.07 0.00 -0.87 0.00 0.00 66.00 65.02 1r0s h PRO 102 Cb 0.60 -0.10 -0.01 0.00 0.13 0.00 0.00 31.00 31.62 1r0s h PRO 102 CO -0.34 0.56 -0.13 0.78 -0.23 0.00 0.00 178.00 178.65 1r0s h GLY 103 N 0.82 0.59 0.97 1.56 0.00 -1.48 -2.67 103.07 102.86 1r0s h GLY 103 Ca 0.14 -0.53 -0.03 0.00 0.00 0.00 0.00 47.33 46.91 1r0s h GLY 103 CO -0.00 0.48 0.19 -1.82 0.00 0.00 0.00 176.54 175.39 1r0s h TYR 104 N 0.27 0.76 -0.41 5.60 5.03 0.00 0.60 116.97 128.82 1r0s h TYR 104 Ca 0.06 -0.06 -0.05 0.00 2.58 0.00 0.00 58.73 61.26 1r0s h TYR 104 Cb 0.64 -0.23 -0.02 0.00 1.55 0.00 0.00 36.73 38.67 1r0s h TYR 104 CO 0.06 0.64 0.07 0.52 -1.32 0.00 0.00 178.16 178.13 1r0s h MET 105 N 0.66 0.68 -0.01 1.82 2.86 -1.06 -3.28 114.93 116.62 1r0s h MET 105 Ca 0.16 -0.18 0.00 0.00 -2.06 0.00 0.00 59.70 57.62 1r0s h MET 105 Cb 0.21 -0.08 0.00 0.00 0.06 0.00 0.00 31.60 31.79 1r0s h MET 105 CO -0.01 0.72 -0.59 1.28 1.06 0.00 0.00 176.91 179.37 1r0s n LEU 106 N -4.51 1.17 -4.65 1.22 7.99 -1.01 -4.81 117.00 112.40 1r0s n LEU 106 Ca -0.00 -0.41 -0.52 0.00 -0.01 0.00 0.00 56.01 55.07 1r0s n LEU 106 Cb 0.24 -0.08 -0.06 0.00 -0.11 0.00 0.00 43.42 43.40 1r0s n LEU 106 CO 0.39 0.24 1.14 -3.20 -1.51 0.00 0.00 177.39 174.46 1r0s n ASN 107 N -0.92 2.30 0.00 -1.43 5.15 0.20 -0.53 115.26 120.03 1r0s n ASN 107 Ca 0.08 1.08 0.00 0.00 -0.60 0.00 0.00 54.58 55.14 1r0s n ASN 107 Cb 0.37 -1.23 0.00 0.00 -0.53 0.00 0.00 39.78 38.39 1r0s n ASN 107 CO 0.00 0.00 0.00 -1.20 1.40 0.00 0.00 177.26 177.46 1r0s n SER 108 N 4.02 0.00 -4.91 1.20 7.64 -1.26 -5.00 113.62 115.30 1r0s n SER 108 Ca 0.21 0.00 -0.27 0.00 1.01 0.00 0.00 58.87 59.83 1r0s n SER 108 Cb 0.20 -0.69 0.00 0.00 -1.01 0.00 0.00 64.21 62.71 1r0s n SER 108 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1r0s s LEU 109 N 0.00 3.60 -0.05 -3.43 1.43 0.31 -5.03 118.68 115.51 1r0s s LEU 109 Ca 0.00 0.81 0.02 0.00 -1.03 0.00 0.00 54.13 53.93 1r0s s LEU 109 Cb 0.00 -3.73 0.01 0.00 0.03 0.00 0.00 46.19 42.50 1r0s s LEU 109 CO 0.00 -0.64 -0.12 -0.69 0.23 0.00 0.00 176.35 175.14 1r0s s VAL 110 N -2.73 1.07 0.22 -1.59 1.01 -1.26 -4.99 120.40 112.13 1r0s s VAL 110 Ca 0.48 -0.46 -0.17 0.00 0.00 0.00 0.00 61.98 61.82 1r0s s VAL 110 Cb -0.10 -0.97 0.02 0.00 0.00 0.00 0.00 36.38 35.33 1r0s s VAL 110 CO 0.44 0.33 0.55 -1.66 0.00 0.00 0.00 175.10 174.76 1r0s s TRP 111 N 0.53 -0.06 -0.22 5.22 -2.14 -1.26 -1.12 118.94 119.88 1r0s s TRP 111 Ca -0.11 -0.30 -0.27 0.00 2.66 0.00 0.00 56.10 58.08 1r0s s TRP 111 Cb -0.14 0.42 0.10 0.00 -3.10 0.00 0.00 33.47 30.75 1r0s s TRP 111 CO 0.03 -0.98 0.91 0.00 -2.66 0.00 0.00 176.95 174.25 1r0s s GLY 113 N -0.20 1.77 0.14 0.00 0.00 -1.26 -1.77 107.32 106.00 1r0s s GLY 113 Ca -0.00 -1.52 -0.19 0.00 0.00 0.00 0.00 44.72 43.01 1r0s s GLY 113 CO -0.01 -1.03 0.47 -0.86 0.00 0.00 0.00 173.10 171.67 1r0s s GLN 114 N -5.08 1.14 0.25 2.90 -2.07 -0.68 -4.27 119.66 111.84 1r0s s GLN 114 Ca 0.64 -0.62 0.13 0.00 -1.82 0.00 0.00 55.36 53.68 1r0s s GLN 114 Cb -0.07 0.51 0.15 0.00 -1.09 0.00 0.00 33.01 32.51 1r0s s GLN 114 CO 0.43 -0.47 1.48 0.00 -1.32 0.00 0.00 175.29 175.41 1r0s h ARG 115 N 2.24 0.00 -7.06 9.60 3.08 -1.82 -2.58 114.38 117.84 1r0s h ARG 115 Ca -0.34 0.00 -0.47 0.00 0.07 0.00 0.00 59.98 59.24 1r0s h ARG 115 Cb 1.27 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.33 1r0s h ARG 115 CO 0.44 0.65 0.30 0.00 -1.07 0.00 0.00 179.97 180.29 1r0s s ALA 116 N -3.11 3.13 0.58 0.04 0.00 -1.26 -4.77 121.76 116.37 1r0s s ALA 116 Ca 0.01 0.16 -0.20 0.00 0.00 0.00 0.00 51.96 51.93 1r0s s ALA 116 Cb 0.10 -3.03 -0.04 0.00 0.00 0.00 0.00 23.12 20.15 1r0s s ALA 116 CO 0.76 -0.06 1.29 0.09 0.00 0.00 0.00 175.76 177.84 1r0s n ASN 117 N -1.19 2.28 -1.20 0.00 3.02 -1.26 -0.18 115.26 116.72 1r0s n ASN 117 Ca 0.06 0.92 -0.04 0.00 -0.03 0.00 0.00 54.58 55.49 1r0s n ASN 117 Cb 0.54 -1.55 0.07 0.00 -0.61 0.00 0.00 39.78 38.23 1r0s n ASN 117 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 1r0s n PRO 118 N -1.22 1.59 -0.35 3.52 -0.04 -1.26 -4.84 135.00 132.40 1r0s n PRO 118 Ca 0.12 -0.86 0.00 0.00 -0.04 0.00 0.00 63.50 62.72 1r0s n PRO 118 Cb 0.46 -1.45 0.00 0.00 -0.04 0.00 0.00 33.50 32.46 1r0s n PRO 118 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1r0s n GLY 119 N 0.08 1.13 3.31 0.55 0.00 0.74 -4.86 105.19 106.15 1r0s n GLY 119 Ca 0.14 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.03 1r0s n GLY 119 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1r0s s PHE 120 N -2.91 -0.27 -0.25 1.61 -0.71 -1.26 -1.43 117.98 112.76 1r0s s PHE 120 Ca 0.00 0.30 -0.10 0.00 -1.04 0.00 0.00 56.93 56.09 1r0s s PHE 120 Cb 0.00 0.20 -0.04 0.00 -1.21 0.00 0.00 43.02 41.96 1r0s s PHE 120 CO 0.00 -0.53 0.14 1.21 -1.34 0.00 0.00 175.22 174.70 1r0s s ASN 121 N -1.77 5.75 0.00 1.98 3.84 -0.73 -4.83 114.94 119.18 1r0s s ASN 121 Ca -0.08 -0.03 0.23 0.00 0.21 0.00 0.00 52.86 53.19 1r0s s ASN 121 Cb -0.02 -2.05 0.45 0.00 -0.55 0.00 0.00 41.25 39.09 1r0s s ASN 121 CO 0.00 -0.00 1.42 -0.62 -2.79 0.00 0.00 177.10 175.11 1r0s n GLU 122 N 4.72 2.55 -0.04 0.43 1.02 -1.26 -4.45 120.64 123.61 1r0s n GLU 122 Ca -0.15 -2.35 -0.07 0.00 -0.02 0.00 0.00 57.16 54.57 1r0s n GLU 122 Cb 0.52 -1.52 -0.03 0.00 -0.02 0.00 0.00 31.44 30.38 1r0s n GLU 122 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1r0s n LYS 123 N 1.53 0.19 -3.77 3.49 4.76 -1.26 -4.74 118.16 118.36 1r0s n LYS 123 Ca 0.20 0.06 -0.13 0.00 -2.87 0.00 0.00 58.31 55.57 1r0s n LYS 123 Cb 0.61 -1.02 -0.09 0.00 -1.84 0.00 0.00 35.03 32.69 1r0s n LYS 123 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1r0s s VAL 124 N -2.16 0.05 0.03 -0.18 0.11 -1.26 -4.28 120.40 112.71 1r0s s VAL 124 Ca -0.11 -0.39 0.02 0.00 -2.93 0.00 0.00 61.98 58.57 1r0s s VAL 124 Cb 0.03 -0.57 -0.02 0.00 -1.53 0.00 0.00 36.38 34.30 1r0s s VAL 124 CO 0.17 -0.21 -0.06 0.00 -3.33 0.00 0.00 175.10 171.66 1r0s s PRO 126 N -1.23 4.36 0.26 0.00 0.02 -1.26 -0.75 135.00 136.40 1r0s s PRO 126 Ca -0.08 1.73 -0.30 0.00 0.02 0.00 0.00 61.00 62.37 1r0s s PRO 126 Cb -0.08 -2.87 -0.10 0.00 0.02 0.00 0.00 34.50 31.47 1r0s s PRO 126 CO 0.00 -0.02 1.48 0.34 -0.33 0.00 0.00 177.00 178.47 1r0s s ASP 127 N -1.14 6.57 0.37 2.53 -1.08 -1.26 -4.72 116.67 117.94 1r0s s ASP 127 Ca 0.51 2.75 0.19 0.00 -0.52 0.00 0.00 52.55 55.48 1r0s s ASP 127 Cb -0.29 -2.63 0.62 0.00 -1.46 0.00 0.00 42.92 39.17 1r0s s ASP 127 CO 0.37 -0.76 1.70 -0.26 0.52 0.00 0.00 175.17 176.73 1r0s h PHE 128 N 5.00 0.00 -1.30 -5.34 -1.00 -1.97 -3.27 116.94 109.05 1r0s h PHE 128 Ca -0.46 0.00 0.39 0.00 2.81 0.00 0.00 57.97 60.70 1r0s h PHE 128 Cb 1.22 0.00 -0.09 0.00 3.61 0.00 0.00 35.95 40.69 1r0s h PHE 128 CO 0.60 0.36 0.88 1.57 -1.61 0.00 0.00 178.31 180.11 1r0s h LYS 129 N 0.00 0.13 -0.76 1.51 2.10 -1.98 0.71 116.57 118.28 1r0s h LYS 129 Ca -0.00 -0.01 0.01 0.00 -2.00 0.00 0.00 60.65 58.65 1r0s h LYS 129 Cb 0.95 -0.03 -0.04 0.00 -0.90 0.00 0.00 32.23 32.22 1r0s h LYS 129 CO 0.05 0.08 0.50 1.79 -2.00 0.00 0.00 179.45 179.88 1r0s h THR 130 N 0.13 1.19 -4.28 0.07 1.35 -1.97 -3.44 112.91 105.96 1r0s h THR 130 Ca 0.71 -0.35 -0.49 0.00 -0.55 0.00 0.00 66.41 65.73 1r0s h THR 130 Cb 2.38 0.08 0.11 0.00 -1.73 0.00 0.00 68.15 68.99 1r0s h THR 130 CO -0.22 0.19 0.33 0.00 -0.25 0.00 0.00 175.52 175.56 1r0s s PRO 132 N -5.15 3.22 0.33 0.00 0.04 -1.26 -4.79 135.00 127.38 1r0s s PRO 132 Ca 0.61 1.59 0.07 0.00 0.04 0.00 0.00 61.00 63.31 1r0s s PRO 132 Cb -0.15 -1.99 0.75 0.00 0.04 0.00 0.00 34.50 33.16 1r0s s PRO 132 CO 0.54 -0.95 1.84 -0.24 0.04 0.00 0.00 177.00 178.23 1r0s h VAL 133 N 0.95 0.82 0.00 -0.36 3.04 -1.94 -0.02 116.25 118.74 1r0s h VAL 133 Ca -0.49 -0.26 -0.04 0.00 -1.01 0.00 0.00 66.70 64.89 1r0s h VAL 133 Cb 1.26 -0.01 -0.01 0.00 -2.01 0.00 0.00 31.29 30.52 1r0s h VAL 133 CO 0.56 0.14 -0.18 0.06 -1.01 0.00 0.00 177.57 177.15 1r0s h GLN 134 N 0.77 0.00 0.22 4.17 -0.00 -1.92 -1.33 115.11 117.01 1r0s h GLN 134 Ca 0.49 0.00 -0.33 0.00 -0.00 0.00 0.00 58.65 58.81 1r0s h GLN 134 Cb 0.72 0.00 0.03 0.00 -0.00 0.00 0.00 27.48 28.23 1r0s h GLN 134 CO -0.25 0.18 -1.51 0.00 -0.00 0.00 0.00 178.83 177.24 1r0s h ALA 135 N 1.82 -0.04 -0.06 0.06 0.00 -1.01 -2.62 119.26 117.42 1r0s h ALA 135 Ca -0.00 -0.94 -0.08 0.00 0.00 0.00 0.00 54.91 53.89 1r0s h ALA 135 Cb 0.33 0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 1r0s h ALA 135 CO 0.02 0.83 -0.34 0.00 0.00 0.00 0.00 179.25 179.76 1r0s h ARG 136 N 0.13 0.11 -0.63 0.00 3.08 -1.04 -2.64 114.38 113.40 1r0s h ARG 136 Ca -0.26 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 59.75 1r0s h ARG 136 Cb 2.13 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 32.17 1r0s h ARG 136 CO 0.24 0.44 0.00 0.39 -1.07 0.00 0.00 179.97 179.97 1r0s n GLU 137 N -4.11 2.86 -0.03 0.04 1.02 -0.53 -4.67 120.64 115.22 1r0s n GLU 137 Ca -0.02 -2.53 -0.13 0.00 -0.02 0.00 0.00 57.16 54.46 1r0s n GLU 137 Cb 0.40 -1.53 -0.07 0.00 -0.02 0.00 0.00 31.44 30.23 1r0s n GLU 137 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1r0s h SER 138 N 3.67 -1.45 0.29 1.62 0.87 -1.07 0.11 113.55 117.59 1r0s h SER 138 Ca 0.00 0.19 -0.01 0.00 -1.23 0.00 0.00 61.79 60.74 1r0s h SER 138 Cb 0.97 0.59 0.00 0.00 -0.44 0.00 0.00 62.40 63.52 1r0s h SER 138 CO 0.02 -0.43 -0.14 0.15 -0.53 0.00 0.00 176.83 175.90 1r0s h PHE 139 N -0.49 -0.36 0.00 2.24 3.57 -1.83 -2.70 116.94 117.37 1r0s h PHE 139 Ca 0.08 -0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.51 1r0s h PHE 139 Cb 0.63 0.12 -0.01 0.00 2.79 0.00 0.00 35.95 39.48 1r0s h PHE 139 CO -0.54 -0.05 -0.29 -1.49 -2.23 0.00 0.00 178.31 173.71 1r0s h TRP 140 N -0.99 0.00 -0.18 0.41 4.06 -1.88 -0.61 115.95 116.75 1r0s h TRP 140 Ca -0.04 0.00 -0.09 0.00 2.06 0.00 0.00 58.89 60.82 1r0s h TRP 140 Cb 0.47 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 28.63 1r0s h TRP 140 CO 0.04 0.29 -0.23 0.78 -3.56 0.00 0.00 178.44 175.76 1r0s h GLY 141 N 2.10 0.52 1.52 1.49 0.00 -0.89 -0.65 103.07 107.16 1r0s h GLY 141 Ca -0.00 -0.56 -0.13 0.00 0.00 0.00 0.00 47.33 46.64 1r0s h GLY 141 CO 0.04 0.50 -0.41 1.98 0.00 0.00 0.00 176.54 178.65 1r0s h MET 142 N 0.13 0.53 -0.36 4.80 1.85 -1.35 -2.23 114.93 118.30 1r0s h MET 142 Ca 0.02 -0.27 0.05 0.00 -0.61 0.00 0.00 59.70 58.89 1r0s h MET 142 Cb 0.79 0.00 -0.04 0.00 0.43 0.00 0.00 31.60 32.78 1r0s h MET 142 CO 0.05 0.85 0.11 0.00 -0.40 0.00 0.00 176.91 177.52 1r0s h ALA 143 N 1.12 0.41 -0.36 0.39 0.00 -0.92 0.23 119.26 120.13 1r0s h ALA 143 Ca 0.04 0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 1r0s h ALA 143 Cb 0.90 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 1r0s h ALA 143 CO 0.08 -0.29 0.05 0.77 0.00 0.00 0.00 179.25 179.86 1r0s h SER 144 N 0.25 0.57 -0.66 0.00 0.02 -1.01 -1.08 113.55 111.64 1r0s h SER 144 Ca 0.17 -0.26 -0.02 0.00 -0.84 0.00 0.00 61.79 60.84 1r0s h SER 144 Cb 0.16 -0.15 -0.03 0.00 0.14 0.00 0.00 62.40 62.52 1r0s h SER 144 CO -0.19 0.69 0.35 0.28 -1.14 0.00 0.00 176.83 176.82 1r0s h SER 145 N 0.43 0.83 -0.30 3.07 0.02 -1.10 0.48 113.55 116.99 1r0s h SER 145 Ca 0.11 -0.10 -0.04 0.00 -0.84 0.00 0.00 61.79 60.92 1r0s h SER 145 Cb 0.36 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.68 1r0s h SER 145 CO 0.01 0.70 0.05 -1.28 -1.14 0.00 0.00 176.83 175.16 1r0s h SER 146 N 0.91 0.48 0.31 3.07 0.87 -0.87 -0.82 113.55 117.50 1r0s h SER 146 Ca 0.23 -0.26 -0.02 0.00 -1.23 0.00 0.00 61.79 60.51 1r0s h SER 146 Cb 0.06 -0.13 0.00 0.00 -0.44 0.00 0.00 62.40 61.89 1r0s h SER 146 CO -0.04 0.62 -0.15 0.22 -0.53 0.00 0.00 176.83 176.96 1r0s h TYR 147 N 0.32 -0.38 -0.80 2.24 3.20 -0.82 -2.72 116.97 118.00 1r0s h TYR 147 Ca 0.09 -0.01 0.11 0.00 3.14 0.00 0.00 58.73 62.06 1r0s h TYR 147 Cb 0.35 0.13 -0.08 0.00 1.54 0.00 0.00 36.73 38.66 1r0s h TYR 147 CO 0.02 -0.21 0.43 0.00 -1.64 0.00 0.00 178.16 176.76 1r0s h ALA 148 N 0.23 1.15 0.00 1.82 0.00 -0.02 -1.18 119.26 121.27 1r0s h ALA 148 Ca -0.04 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 1r0s h ALA 148 Cb 0.34 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 1r0s h ALA 148 CO 0.07 0.00 -0.08 1.25 0.00 0.00 0.00 179.25 180.49 1r0s h HIS 149 N 0.69 0.00 -0.01 0.00 -0.00 -0.92 -2.32 115.15 112.59 1r0s h HIS 149 Ca 0.40 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.77 1r0s h HIS 149 Cb 0.45 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.86 1r0s h HIS 149 CO -0.08 0.08 -0.18 0.43 -0.00 0.00 0.00 177.93 178.18 1r0s n SER 150 N -4.02 0.78 -4.75 3.26 7.64 -0.46 -4.72 113.62 111.34 1r0s n SER 150 Ca -0.03 -0.76 -0.41 0.00 1.01 0.00 0.00 58.87 58.68 1r0s n SER 150 Cb 0.17 0.03 -0.02 0.00 -1.01 0.00 0.00 64.21 63.38 1r0s n SER 150 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1r0s s ALA 151 N -2.47 3.59 0.02 -0.43 0.00 -0.87 -4.37 121.76 117.23 1r0s s ALA 151 Ca 0.27 1.32 0.01 0.00 0.00 0.00 0.00 51.96 53.56 1r0s s ALA 151 Cb 0.20 -3.54 -0.01 0.00 0.00 0.00 0.00 23.12 19.76 1r0s s ALA 151 CO 0.49 -0.73 -0.05 -1.21 0.00 0.00 0.00 175.76 174.26 1r0s s GLU 152 N -0.78 0.40 3.37 0.00 2.02 -1.26 -4.34 118.70 118.12 1r0s s GLU 152 Ca 0.57 -0.48 0.00 0.00 0.02 0.00 0.00 54.97 55.08 1r0s s GLU 152 Cb -0.41 -0.22 0.00 0.00 0.10 0.00 0.00 34.13 33.59 1r0s s GLU 152 CO 0.46 0.05 0.00 0.41 0.02 0.00 0.00 175.26 176.20 1r0s n GLY 153 N 2.12 0.44 3.73 -1.39 0.00 -0.44 -1.52 105.19 108.12 1r0s n GLY 153 Ca -0.19 -1.05 -0.40 0.00 0.00 0.00 0.00 46.02 44.39 1r0s n GLY 153 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1r0s s GLU 154 N 0.00 4.45 0.10 1.61 2.02 -1.26 -1.39 118.70 124.22 1r0s s GLU 154 Ca 0.00 0.94 0.05 0.00 0.02 0.00 0.00 54.97 55.98 1r0s s GLU 154 Cb 0.00 -3.42 -0.04 0.00 0.10 0.00 0.00 34.13 30.77 1r0s s GLU 154 CO 0.00 0.13 -0.02 0.14 0.02 0.00 0.00 175.26 175.53 1r0s s VAL 155 N 0.55 3.90 0.04 2.63 -7.23 -0.18 -4.01 120.40 116.10 1r0s s VAL 155 Ca 0.38 -1.05 0.06 0.00 -1.81 0.00 0.00 61.98 59.56 1r0s s VAL 155 Cb -0.19 -2.86 -0.03 0.00 0.56 0.00 0.00 36.38 33.86 1r0s s VAL 155 CO 0.20 0.11 -0.16 -0.89 -0.31 0.00 0.00 175.10 174.04 1r0s s THR 156 N -1.31 2.94 -0.14 5.32 2.01 -0.80 -0.50 115.64 123.15 1r0s s THR 156 Ca 0.25 -1.12 -0.02 0.00 0.31 0.00 0.00 61.69 61.11 1r0s s THR 156 Cb -0.12 -2.25 0.04 0.00 0.01 0.00 0.00 72.50 70.19 1r0s s THR 156 CO 0.18 0.34 -0.00 -0.47 -0.69 0.00 0.00 174.62 173.97 1r0s s TYR 157 N -0.94 1.09 -0.24 4.92 5.04 0.32 -0.34 117.35 127.21 1r0s s TYR 157 Ca 0.15 -0.67 -0.10 0.00 -2.44 0.00 0.00 57.07 54.01 1r0s s TYR 157 Cb -0.11 -1.03 -0.05 0.00 0.35 0.00 0.00 41.96 41.12 1r0s s TYR 157 CO 0.06 -0.51 0.16 1.41 -1.34 0.00 0.00 175.55 175.32 1r0s s MET 158 N 1.83 4.08 0.22 4.97 -2.45 0.45 -0.02 119.30 128.38 1r0s s MET 158 Ca 0.02 -0.27 0.08 0.00 -1.25 0.00 0.00 55.69 54.27 1r0s s MET 158 Cb -0.15 -3.52 -0.05 0.00 1.25 0.00 0.00 34.83 32.36 1r0s s MET 158 CO -0.07 0.08 -0.13 0.14 1.05 0.00 0.00 175.02 176.09 1r0s s VAL 159 N 0.99 1.74 -0.44 10.11 -7.23 -0.38 -0.52 120.40 124.68 1r0s s VAL 159 Ca 0.07 -2.20 -0.23 0.00 -1.81 0.00 0.00 61.98 57.81 1r0s s VAL 159 Cb -0.13 -2.13 0.02 0.00 0.56 0.00 0.00 36.38 34.70 1r0s s VAL 159 CO 0.04 -0.53 0.76 -0.62 -0.31 0.00 0.00 175.10 174.43 1r0s s ASP 160 N -3.35 6.41 -0.15 4.85 -1.08 -1.09 -0.19 116.67 122.07 1r0s s ASP 160 Ca 0.24 -0.09 0.17 0.00 -0.52 0.00 0.00 52.55 52.35 1r0s s ASP 160 Cb -0.00 -2.37 0.72 0.00 -1.46 0.00 0.00 42.92 39.81 1r0s s ASP 160 CO 0.08 -0.87 1.64 0.61 0.52 0.00 0.00 175.17 177.15 1r0s n GLY 161 N 4.94 2.96 0.28 2.66 0.00 -0.21 -4.14 105.19 111.67 1r0s n GLY 161 Ca 0.02 -0.88 0.08 0.00 0.00 0.00 0.00 46.02 45.24 1r0s n GLY 161 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1r0s n SER 162 N 0.79 2.08 -4.18 1.61 7.64 -1.24 -1.00 113.62 119.32 1r0s n SER 162 Ca 0.26 -3.39 -0.36 0.00 1.01 0.00 0.00 58.87 56.39 1r0s n SER 162 Cb 0.97 -0.47 -0.13 0.00 -1.01 0.00 0.00 64.21 63.58 1r0s n SER 162 CO 0.00 0.00 0.00 0.21 -3.01 0.00 0.00 175.04 172.24 1r0s s ASN 163 N -3.00 5.07 0.00 6.43 3.84 -1.26 -4.83 114.94 121.19 1r0s s ASN 163 Ca 0.34 -1.41 0.20 0.00 0.21 0.00 0.00 52.86 52.20 1r0s s ASN 163 Cb 0.31 -1.77 0.92 0.00 -0.55 0.00 0.00 41.25 40.15 1r0s s ASN 163 CO -0.01 -0.34 1.63 -0.81 -2.79 0.00 0.00 177.10 174.78 1r0s n PRO 164 N 4.66 0.12 0.00 0.43 -0.04 -1.26 -3.14 135.00 135.78 1r0s n PRO 164 Ca -0.11 0.13 0.08 0.00 -0.04 0.00 0.00 63.50 63.56 1r0s n PRO 164 Cb 0.43 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.31 1r0s n PRO 164 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1r0s n LYS 165 N -1.41 1.75 -3.66 0.54 5.02 -1.26 -4.86 118.16 114.28 1r0s n LYS 165 Ca 0.07 -0.09 -0.29 0.00 -2.02 0.00 0.00 58.31 55.98 1r0s n LYS 165 Cb 0.20 -1.25 -0.15 0.00 -0.02 0.00 0.00 35.03 33.80 1r0s n LYS 165 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1r0s s VAL 166 N -2.44 0.42 0.40 -0.18 1.01 -1.19 -5.13 120.40 113.29 1r0s s VAL 166 Ca 0.07 -0.95 -0.24 0.00 0.00 0.00 0.00 61.98 60.86 1r0s s VAL 166 Cb 0.12 -1.25 -0.12 0.00 0.00 0.00 0.00 36.38 35.13 1r0s s VAL 166 CO 0.63 -0.59 0.74 -2.65 0.00 0.00 0.00 175.10 173.23 1r0s n PRO 167 N 5.05 0.86 -0.20 2.72 -0.02 -1.26 -4.66 135.00 137.50 1r0s n PRO 167 Ca -0.05 0.31 0.01 0.00 -2.02 0.00 0.00 63.50 61.75 1r0s n PRO 167 Cb 0.43 -1.69 0.10 0.00 -0.02 0.00 0.00 33.50 32.32 1r0s n PRO 167 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1r0s h ALA 168 N 1.16 0.60 -3.26 3.55 0.00 -1.89 -3.38 119.26 116.04 1r0s h ALA 168 Ca -0.41 0.18 -0.66 0.00 0.00 0.00 0.00 54.91 54.02 1r0s h ALA 168 Cb 1.38 0.31 -0.29 0.00 0.00 0.00 0.00 17.79 19.19 1r0s h ALA 168 CO 0.54 -0.39 -0.79 -0.47 0.00 0.00 0.00 179.25 178.15 1r0s s TYR 169 N -6.15 2.79 -0.01 0.00 5.04 -1.26 -4.73 117.35 113.02 1r0s s TYR 169 Ca -0.13 -0.83 0.03 0.00 -2.44 0.00 0.00 57.07 53.69 1r0s s TYR 169 Cb 0.18 -1.86 -0.01 0.00 0.35 0.00 0.00 41.96 40.63 1r0s s TYR 169 CO 0.74 -0.34 -0.10 1.03 -1.34 0.00 0.00 175.55 175.53 1r0s s ARG 170 N 0.57 0.90 0.59 4.97 0.52 -1.26 -4.83 118.95 120.40 1r0s s ARG 170 Ca -0.09 -0.37 0.33 0.00 -0.52 0.00 0.00 55.73 55.08 1r0s s ARG 170 Cb -0.16 -0.86 1.85 0.00 0.52 0.00 0.00 34.95 36.31 1r0s s ARG 170 CO 0.03 0.21 2.23 -1.35 0.02 0.00 0.00 175.30 176.44 1r0s h PRO 171 N 5.99 0.00 -0.53 3.54 0.11 -1.99 -2.73 132.00 136.39 1r0s h PRO 171 Ca -0.32 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.79 1r0s h PRO 171 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1r0s h PRO 171 CO 0.49 0.03 0.00 -0.40 -0.21 0.00 0.00 178.00 177.91 1r0s n ASP 172 N -3.58 4.27 -4.32 -2.05 3.85 -1.26 -3.24 116.55 110.22 1r0s n ASP 172 Ca -0.03 -2.46 -0.28 0.00 -0.71 0.00 0.00 54.79 51.31 1r0s n ASP 172 Cb 0.13 -0.51 0.16 0.00 -1.35 0.00 0.00 41.12 39.55 1r0s n ASP 172 CO 0.00 0.00 0.00 -0.94 -1.01 0.00 0.00 177.20 175.25 1r0s s SER 173 N -1.11 3.51 0.22 -1.12 1.04 -1.03 -4.76 113.70 110.45 1r0s s SER 173 Ca 0.44 0.16 -0.03 0.00 0.48 0.00 0.00 55.95 57.00 1r0s s SER 173 Cb 0.29 -0.32 0.22 0.00 0.10 0.00 0.00 66.02 66.31 1r0s s SER 173 CO 0.20 -2.47 1.63 -0.26 0.98 0.00 0.00 173.24 173.33 1r0s h PHE 174 N -1.34 0.80 -0.36 5.02 -1.00 -1.93 0.12 116.94 118.26 1r0s h PHE 174 Ca -0.43 -0.19 -0.06 0.00 2.81 0.00 0.00 57.97 60.11 1r0s h PHE 174 Cb 1.25 -0.19 -0.01 0.00 3.61 0.00 0.00 35.95 40.61 1r0s h PHE 174 CO -0.82 0.89 0.01 0.35 -1.61 0.00 0.00 178.31 177.12 1r0s h PHE 175 N 0.61 0.68 -0.66 -0.55 3.57 -1.90 0.90 116.94 119.58 1r0s h PHE 175 Ca 0.08 -0.12 -0.06 0.00 3.53 0.00 0.00 57.97 61.40 1r0s h PHE 175 Cb 0.76 -0.18 -0.03 0.00 2.79 0.00 0.00 35.95 39.29 1r0s h PHE 175 CO 0.04 0.72 0.16 0.78 -2.23 0.00 0.00 178.31 177.78 1r0s h GLY 176 N 0.44 1.14 0.45 2.40 0.00 -1.59 0.11 103.07 106.03 1r0s h GLY 176 Ca 0.10 -0.72 -0.27 0.00 0.00 0.00 0.00 47.33 46.44 1r0s h GLY 176 CO 0.02 0.67 -1.43 0.50 0.00 0.00 0.00 176.54 176.30 1r0s h LYS 177 N 0.99 0.20 0.00 4.80 1.57 -0.73 -3.39 116.57 120.01 1r0s h LYS 177 Ca 0.21 -0.34 0.00 0.00 -1.87 0.00 0.00 60.65 58.65 1r0s h LYS 177 Cb 0.36 0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.80 1r0s h LYS 177 CO 0.00 1.16 -1.38 0.66 -0.57 0.00 0.00 179.45 179.33 1r0s n TYR 178 N -3.97 0.00 0.00 -1.35 4.01 0.30 -4.61 117.16 111.54 1r0s n TYR 178 Ca -0.27 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.47 1r0s n TYR 178 Cb 0.87 -0.23 0.00 0.00 -0.31 0.00 0.00 39.34 39.67 1r0s n TYR 178 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1r0s n ALA 179 N -1.81 0.00 -0.29 -0.72 0.00 -0.34 -3.94 120.51 113.41 1r0s n ALA 179 Ca -0.01 -0.03 0.12 0.00 0.00 0.00 0.00 53.44 53.51 1r0s n ALA 179 Cb 0.31 0.00 0.28 0.00 0.00 0.00 0.00 19.45 20.04 1r0s n ALA 179 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1r0s h LEU 180 N 0.00 0.07 -2.19 0.00 5.85 -1.11 0.12 115.31 118.05 1r0s h LEU 180 Ca 0.00 0.18 -0.01 0.00 0.84 0.00 0.00 57.88 58.89 1r0s h LEU 180 Cb 0.00 0.23 -0.00 0.00 0.37 0.00 0.00 40.66 41.26 1r0s h LEU 180 CO 0.00 -0.11 -0.05 -0.65 -0.34 0.00 0.00 178.44 177.29 1r0s h PRO 181 N 0.26 0.00 -0.57 5.25 0.11 -1.76 -2.95 132.00 132.33 1r0s h PRO 181 Ca 0.53 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.64 1r0s h PRO 181 Cb 1.04 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.15 1r0s h PRO 181 CO -0.61 0.05 0.00 0.09 -0.21 0.00 0.00 178.00 177.32 1r0s n ASN 182 N -3.39 3.67 -4.69 -2.05 3.02 0.39 -4.92 115.26 107.29 1r0s n ASN 182 Ca -0.02 -1.99 -0.42 0.00 -0.03 0.00 0.00 54.58 52.12 1r0s n ASN 182 Cb 0.19 -0.37 -0.03 0.00 -0.61 0.00 0.00 39.78 38.96 1r0s n ASN 182 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1r0s s LEU 183 N -1.17 4.28 0.76 3.41 1.43 -1.03 -3.58 118.68 122.78 1r0s s LEU 183 Ca 0.43 1.66 -0.04 0.00 -1.03 0.00 0.00 54.13 55.14 1r0s s LEU 183 Cb 0.23 -3.56 0.13 0.00 0.03 0.00 0.00 46.19 43.02 1r0s s LEU 183 CO 0.31 -0.45 1.05 0.42 0.23 0.00 0.00 176.35 177.90 1r0s s THR 184 N 1.85 2.16 -1.58 5.49 -4.23 -1.26 -4.94 115.64 113.12 1r0s s THR 184 Ca 0.51 -0.45 0.10 0.00 -1.18 0.00 0.00 61.69 60.67 1r0s s THR 184 Cb -0.21 -2.71 0.20 0.00 1.34 0.00 0.00 72.50 71.12 1r0s s THR 184 CO 0.21 0.00 1.15 -0.46 -0.54 0.00 0.00 174.62 174.98 1r0s n ASN 185 N -2.99 0.00 0.06 3.99 0.23 -1.26 -1.38 115.26 113.91 1r0s n ASN 185 Ca 0.14 0.03 0.13 0.00 -0.53 0.00 0.00 54.58 54.35 1r0s n ASN 185 Cb 0.60 -0.21 0.46 0.00 -2.08 0.00 0.00 39.78 38.55 1r0s n ASN 185 CO 0.00 0.00 0.00 0.29 -0.93 0.00 0.00 177.26 176.62 1r0s n LYS 186 N -1.21 0.17 -3.14 -3.83 4.76 -1.26 -4.75 118.16 108.90 1r0s n LYS 186 Ca 0.05 0.13 -0.39 0.00 -2.87 0.00 0.00 58.31 55.23 1r0s n LYS 186 Cb 0.06 -1.69 -0.06 0.00 -1.84 0.00 0.00 35.03 31.51 1r0s n LYS 186 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1r0s s VAL 187 N -3.07 4.65 -0.05 -0.18 1.01 -0.48 -1.33 120.40 120.95 1r0s s VAL 187 Ca 0.12 1.42 0.10 0.00 0.00 0.00 0.00 61.98 63.61 1r0s s VAL 187 Cb 0.15 -4.00 -0.15 0.00 0.00 0.00 0.00 36.38 32.38 1r0s s VAL 187 CO 0.58 0.51 0.15 0.35 0.00 0.00 0.00 175.10 176.69 1r0s n THR 188 N 1.94 0.29 -3.58 3.92 -2.24 -0.48 -4.87 114.28 109.26 1r0s n THR 188 Ca -0.08 -0.32 -0.15 0.00 -2.27 0.00 0.00 64.05 61.23 1r0s n THR 188 Cb 0.50 -0.18 -0.06 0.00 -2.10 0.00 0.00 70.33 68.49 1r0s n THR 188 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 1r0s s ARG 189 N -2.52 0.89 -0.25 -0.78 3.52 -1.24 -0.74 118.95 117.83 1r0s s ARG 189 Ca -0.04 0.62 -0.05 0.00 -0.13 0.00 0.00 55.73 56.12 1r0s s ARG 189 Cb 0.05 0.43 -0.01 0.00 -1.56 0.00 0.00 34.95 33.86 1r0s s ARG 189 CO 0.43 -0.20 0.01 0.08 -0.81 0.00 0.00 175.30 174.81 1r0s s VAL 190 N -0.36 3.74 -0.30 7.11 1.01 -0.88 -1.01 120.40 129.71 1r0s s VAL 190 Ca -0.04 -0.47 -0.07 0.00 0.00 0.00 0.00 61.98 61.40 1r0s s VAL 190 Cb -0.03 -2.77 0.01 0.00 0.00 0.00 0.00 36.38 33.59 1r0s s VAL 190 CO 0.04 0.32 0.08 -0.54 0.00 0.00 0.00 175.10 175.00 1r0s s LYS 191 N 1.51 3.06 -0.05 2.72 1.02 0.34 -2.36 119.74 125.99 1r0s s LYS 191 Ca 0.05 -0.88 -0.15 0.00 0.02 0.00 0.00 55.97 55.01 1r0s s LYS 191 Cb -0.15 -3.38 -0.05 0.00 -0.52 0.00 0.00 37.83 33.72 1r0s s LYS 191 CO -0.00 -0.46 0.40 0.08 -0.92 0.00 0.00 175.35 174.45 1r0s s VAL 192 N 1.49 5.11 -0.25 3.17 1.01 -0.31 -0.52 120.40 130.10 1r0s s VAL 192 Ca 0.02 0.81 0.00 0.00 0.00 0.00 0.00 61.98 62.82 1r0s s VAL 192 Cb -0.17 -3.72 0.04 0.00 0.00 0.00 0.00 36.38 32.53 1r0s s VAL 192 CO 0.03 0.50 -0.08 -0.63 0.00 0.00 0.00 175.10 174.91 1r0s s ILE 193 N -0.53 2.53 -0.27 2.22 1.01 0.97 -1.23 121.20 125.89 1r0s s ILE 193 Ca 0.23 -1.32 -0.21 0.00 0.00 0.00 0.00 60.65 59.35 1r0s s ILE 193 Cb -0.16 -2.37 -0.01 0.00 0.01 0.00 0.00 42.46 39.93 1r0s s ILE 193 CO 0.11 0.09 0.65 -0.69 0.00 0.00 0.00 174.94 175.11 1r0s s VAL 194 N 1.22 4.95 -0.28 2.92 1.01 0.15 -1.25 120.40 129.13 1r0s s VAL 194 Ca -0.04 1.09 -0.22 0.00 0.00 0.00 0.00 61.98 62.81 1r0s s VAL 194 Cb -0.18 -3.98 -0.01 0.00 0.00 0.00 0.00 36.38 32.21 1r0s s VAL 194 CO -0.05 -0.05 0.72 -0.22 0.00 0.00 0.00 175.10 175.50 1r0s s LEU 195 N 2.59 4.09 -0.53 3.92 0.20 0.74 -1.84 118.68 127.85 1r0s s LEU 195 Ca 0.27 0.70 -0.10 0.00 0.69 0.00 0.00 54.13 55.69 1r0s s LEU 195 Cb -0.15 -2.98 0.13 0.00 -0.43 0.00 0.00 46.19 42.76 1r0s s LEU 195 CO 0.10 -0.50 0.41 -1.00 -0.29 0.00 0.00 176.35 175.07 1r0s s HIS 196 N 2.74 3.44 0.27 5.38 3.76 -1.26 -1.05 115.29 128.57 1r0s s HIS 196 Ca 0.30 -1.91 -0.29 0.00 -0.15 0.00 0.00 55.06 53.00 1r0s s HIS 196 Cb -0.15 -3.53 -0.14 0.00 1.11 0.00 0.00 32.58 29.87 1r0s s HIS 196 CO 0.10 -0.98 1.12 0.54 -0.85 0.00 0.00 174.74 174.67 1r0s n ARG 197 N 4.71 1.51 -1.84 1.40 1.74 -1.26 -4.86 116.66 118.06 1r0s n ARG 197 Ca -0.05 0.53 -0.42 0.00 -0.77 0.00 0.00 57.85 57.15 1r0s n ARG 197 Cb 0.41 -1.99 -0.02 0.00 -1.02 0.00 0.00 32.46 29.84 1r0s n ARG 197 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1r0s s LEU 198 N 0.23 4.36 0.00 0.55 1.43 -1.26 -2.06 118.68 121.93 1r0s s LEU 198 Ca 0.62 2.82 0.00 0.00 -1.03 0.00 0.00 54.13 56.53 1r0s s LEU 198 Cb -0.70 -3.62 0.00 0.00 0.03 0.00 0.00 46.19 41.90 1r0s s LEU 198 CO 0.58 -0.87 0.00 0.61 0.23 0.00 0.00 176.35 176.90 1r0s n GLY 199 N 2.87 0.78 3.75 -3.19 0.00 -1.26 -5.04 105.19 103.10 1r0s n GLY 199 Ca 0.11 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.85 1r0s n GLY 199 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1r0s s GLU 200 N -0.13 2.75 0.33 1.61 2.02 -0.88 -5.09 118.70 119.32 1r0s s GLU 200 Ca 0.00 -0.86 -0.29 0.00 0.02 0.00 0.00 54.97 53.85 1r0s s GLU 200 Cb 0.00 -2.60 -0.11 0.00 0.10 0.00 0.00 34.13 31.52 1r0s s GLU 200 CO 0.00 0.51 1.41 0.21 0.02 0.00 0.00 175.26 177.42 1r0s s LYS 201 N -2.75 4.23 0.03 1.61 2.20 -1.26 -4.85 119.74 118.95 1r0s s LYS 201 Ca 0.29 2.39 -0.30 0.00 -0.36 0.00 0.00 55.97 57.99 1r0s s LYS 201 Cb -0.11 -3.03 -0.04 0.00 -1.51 0.00 0.00 37.83 33.14 1r0s s LYS 201 CO 0.21 -0.38 1.03 0.42 -0.36 0.00 0.00 175.35 176.27 1r0s s ILE 202 N -0.88 4.63 -0.14 5.43 1.01 -1.26 -4.66 121.20 125.33 1r0s s ILE 202 Ca 0.53 1.92 -0.05 0.00 0.00 0.00 0.00 60.65 63.05 1r0s s ILE 202 Cb -0.43 -4.23 -0.07 0.00 0.01 0.00 0.00 42.46 37.74 1r0s s ILE 202 CO 0.55 0.17 -0.16 -0.38 0.00 0.00 0.00 174.94 175.11 1r0s n ILE 203 N 3.77 0.76 -4.32 2.92 2.08 -0.17 -5.02 119.36 119.39 1r0s n ILE 203 Ca 0.06 -0.22 -0.30 0.00 0.56 0.00 0.00 62.75 62.85 1r0s n ILE 203 Cb 0.50 -1.50 -0.10 0.00 -0.75 0.00 0.00 39.64 37.79 1r0s n ILE 203 CO 0.00 0.00 0.00 -1.61 0.56 0.00 0.00 176.55 175.50 1r0s s GLU 204 N -2.26 2.17 0.03 0.38 0.41 -0.45 -5.02 118.70 113.96 1r0s s GLU 204 Ca -0.19 -0.98 0.02 0.00 -0.41 0.00 0.00 54.97 53.41 1r0s s GLU 204 Cb 0.07 -2.31 -0.02 0.00 -1.78 0.00 0.00 34.13 30.09 1r0s s GLU 204 CO 0.26 0.52 -0.06 0.15 -0.49 0.00 0.00 175.26 175.64 1r0s s LYS 205 N -2.00 0.46 0.44 1.61 1.02 -1.26 -4.88 119.74 115.14 1r0s s LYS 205 Ca 0.20 -0.58 -0.24 0.00 0.02 0.00 0.00 55.97 55.37 1r0s s LYS 205 Cb -0.11 -0.27 -0.09 0.00 -0.52 0.00 0.00 37.83 36.84 1r0s s LYS 205 CO 0.12 0.05 1.16 0.00 -0.92 0.00 0.00 175.35 175.76 1r0s n GLY 207 N 0.98 1.59 3.18 0.00 0.00 -1.26 -4.99 105.19 104.69 1r0s n GLY 207 Ca 0.08 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.99 1r0s n GLY 207 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1r0s s ALA 208 N -3.67 1.05 0.00 4.61 0.00 -0.99 -4.62 121.76 118.13 1r0s s ALA 208 Ca 0.00 -1.41 0.00 0.00 0.00 0.00 0.00 51.96 50.55 1r0s s ALA 208 Cb 0.00 0.30 0.00 0.00 0.00 0.00 0.00 23.12 23.42 1r0s s ALA 208 CO 0.00 -0.27 0.00 0.41 0.00 0.00 0.00 175.76 175.90 1r0s n GLY 209 N -0.09 3.11 0.22 0.00 0.00 -1.26 -2.12 105.19 105.06 1r0s n GLY 209 Ca -0.10 -0.05 0.08 0.00 0.00 0.00 0.00 46.02 45.95 1r0s n GLY 209 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1r0s h SER 210 N 0.13 0.00 1.25 1.61 4.64 -1.92 -0.01 113.55 119.25 1r0s h SER 210 Ca 0.00 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.27 1r0s h SER 210 Cb 0.00 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.08 1r0s h SER 210 CO 0.00 0.25 -0.22 -0.07 -0.87 0.00 0.00 176.83 175.92 1r0s h LEU 211 N 0.00 0.00 0.18 5.97 3.38 -1.70 0.95 115.31 124.09 1r0s h LEU 211 Ca -0.00 0.00 -0.30 0.00 0.09 0.00 0.00 57.88 57.66 1r0s h LEU 211 Cb 0.60 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.37 1r0s h LEU 211 CO 0.03 0.22 -1.37 0.25 0.09 0.00 0.00 178.44 177.66 1r0s h LEU 212 N 0.00 0.60 -0.09 1.67 5.85 -0.69 -1.33 115.31 121.32 1r0s h LEU 212 Ca -0.00 -0.66 -0.00 0.00 0.84 0.00 0.00 57.88 58.06 1r0s h LEU 212 Cb 0.90 -0.20 -0.00 0.00 0.37 0.00 0.00 40.66 41.73 1r0s h LEU 212 CO 0.03 1.52 0.05 0.44 -0.34 0.00 0.00 178.44 180.14 1r0s h ASP 213 N 0.10 0.11 -0.36 1.25 3.32 -0.71 -1.14 116.42 118.99 1r0s h ASP 213 Ca -0.20 -0.05 0.03 0.00 0.02 0.00 0.00 57.03 56.83 1r0s h ASP 213 Cb 2.06 -0.03 -0.03 0.00 0.22 0.00 0.00 39.33 41.55 1r0s h ASP 213 CO 0.23 0.13 0.16 0.25 -1.72 0.00 0.00 179.24 178.29 1r0s h LEU 214 N 0.08 0.22 -0.59 1.55 5.85 -0.84 -1.74 115.31 119.84 1r0s h LEU 214 Ca 0.03 0.02 0.08 0.00 0.84 0.00 0.00 57.88 58.86 1r0s h LEU 214 Cb 0.04 -0.01 -0.06 0.00 0.37 0.00 0.00 40.66 40.99 1r0s h LEU 214 CO -0.01 0.17 0.24 -0.08 -0.34 0.00 0.00 178.44 178.42 1r0s h GLU 215 N 0.34 0.43 -0.74 1.25 4.81 -1.04 0.23 114.58 119.87 1r0s h GLU 215 Ca 0.16 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.34 1r0s h GLU 215 Cb 0.09 -0.10 -0.03 0.00 0.63 0.00 0.00 28.75 29.34 1r0s h GLU 215 CO -0.13 0.28 0.39 0.87 -0.73 0.00 0.00 179.01 179.70 1r0s h LYS 216 N 0.44 1.04 -0.54 1.92 1.57 -0.68 0.57 116.57 120.89 1r0s h LYS 216 Ca 0.29 -0.13 -0.10 0.00 -1.87 0.00 0.00 60.65 58.83 1r0s h LYS 216 Cb 0.31 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 32.40 1r0s h LYS 216 CO -0.27 0.78 -0.08 -0.07 -0.57 0.00 0.00 179.45 179.25 1r0s h LEU 217 N 1.03 0.98 -0.29 2.94 3.38 -0.48 0.30 115.31 123.16 1r0s h LEU 217 Ca 0.26 -0.30 -0.05 0.00 0.09 0.00 0.00 57.88 57.87 1r0s h LEU 217 Cb 0.05 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.53 1r0s h LEU 217 CO -0.04 1.07 -0.03 0.58 0.09 0.00 0.00 178.44 180.12 1r0s h VAL 218 N 0.89 1.27 -0.44 1.22 2.07 -0.11 -2.82 116.25 118.33 1r0s h VAL 218 Ca 0.15 -1.00 -0.11 0.00 0.82 0.00 0.00 66.70 66.55 1r0s h VAL 218 Cb 0.62 1.34 -0.01 0.00 -1.52 0.00 0.00 31.29 31.72 1r0s h VAL 218 CO 0.04 0.32 -0.16 0.11 0.02 0.00 0.00 177.57 177.91 1r0s h LYS 219 N 0.31 0.88 -0.14 1.57 1.57 -0.78 -1.84 116.57 118.14 1r0s h LYS 219 Ca 0.08 -0.36 0.04 0.00 -1.87 0.00 0.00 60.65 58.54 1r0s h LYS 219 Cb 0.48 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.75 1r0s h LYS 219 CO 0.02 1.00 0.28 0.00 -0.57 0.00 0.00 179.45 180.18 1r0s h ALA 220 N 0.85 1.59 -0.45 3.86 0.00 -0.88 0.69 119.26 124.93 1r0s h ALA 220 Ca 0.10 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1r0s h ALA 220 Cb 0.71 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.51 1r0s h ALA 220 CO 0.05 -0.35 0.00 1.63 0.00 0.00 0.00 179.25 180.58 1r0s n LYS 221 N -3.34 2.39 -1.47 0.00 5.02 -0.72 -4.97 118.16 115.07 1r0s n LYS 221 Ca 0.01 -2.12 -0.09 0.00 -2.02 0.00 0.00 58.31 54.09 1r0s n LYS 221 Cb 0.38 -1.49 -0.03 0.00 -0.02 0.00 0.00 35.03 33.87 1r0s n LYS 221 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1r0s n HIS 222 N 1.28 -0.10 -3.75 2.13 8.25 0.24 -5.04 115.22 118.23 1r0s n HIS 222 Ca 0.20 0.00 -0.29 0.00 -0.26 0.00 0.00 57.72 57.36 1r0s n HIS 222 Cb 0.54 -1.90 -0.04 0.00 1.12 0.00 0.00 29.99 29.71 1r0s n HIS 222 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 1r0s s PHE 223 N -2.36 3.49 0.85 4.41 0.08 -1.00 -5.01 117.98 118.44 1r0s s PHE 223 Ca 0.00 0.37 -0.12 0.00 0.12 0.00 0.00 56.93 57.30 1r0s s PHE 223 Cb 0.00 -1.86 0.10 0.00 -0.57 0.00 0.00 43.02 40.69 1r0s s PHE 223 CO 0.00 0.45 1.10 0.00 -0.10 0.00 0.00 175.22 176.67 1r0s s ALA 224 N -1.73 1.93 -0.16 5.36 0.00 0.08 -4.26 121.76 122.99 1r0s s ALA 224 Ca 0.38 -0.24 -0.11 0.00 0.00 0.00 0.00 51.96 52.00 1r0s s ALA 224 Cb -0.12 -3.11 0.05 0.00 0.00 0.00 0.00 23.12 19.94 1r0s s ALA 224 CO 0.27 -2.03 0.40 0.12 0.00 0.00 0.00 175.76 174.52 1r0s s PHE 225 N -3.11 -0.53 0.14 0.00 5.36 -1.26 -2.07 117.98 116.50 1r0s s PHE 225 Ca 0.62 1.18 -0.05 0.00 -0.96 0.00 0.00 56.93 57.72 1r0s s PHE 225 Cb -0.16 0.21 -0.02 0.00 -0.34 0.00 0.00 43.02 42.71 1r0s s PHE 225 CO 0.55 -0.29 0.15 0.16 -1.46 0.00 0.00 175.22 174.33 1r0s s ASP 226 N 0.97 0.20 -0.17 6.13 1.47 -0.99 -4.99 116.67 119.29 1r0s s ASP 226 Ca -0.06 -1.02 -0.15 0.00 1.18 0.00 0.00 52.55 52.50 1r0s s ASP 226 Cb -0.07 0.35 0.05 0.00 -0.34 0.00 0.00 42.92 42.91 1r0s s ASP 226 CO -0.08 -0.79 0.46 0.00 0.68 0.00 0.00 175.17 175.44 1r0s s VAL 228 N 0.44 0.53 -0.18 0.00 -7.23 -0.37 -4.96 120.40 108.63 1r0s s VAL 228 Ca -0.02 -0.91 -0.04 0.00 -1.81 0.00 0.00 61.98 59.20 1r0s s VAL 228 Cb -0.04 -0.56 -0.02 0.00 0.56 0.00 0.00 36.38 36.31 1r0s s VAL 228 CO -0.02 -0.27 -0.02 -1.61 -0.31 0.00 0.00 175.10 172.87 1r0s s GLU 229 N -1.28 3.63 -0.74 4.82 2.02 -1.26 0.34 118.70 126.23 1r0s s GLU 229 Ca -0.07 -0.53 -0.11 0.00 0.02 0.00 0.00 54.97 54.28 1r0s s GLU 229 Cb -0.08 -3.01 0.02 0.00 0.10 0.00 0.00 34.13 31.15 1r0s s GLU 229 CO 0.00 0.10 0.48 0.09 0.02 0.00 0.00 175.26 175.95 1r0s n ASN 230 N 3.98 -3.39 -4.72 -0.19 4.13 -0.77 -4.87 115.26 109.43 1r0s n ASN 230 Ca -0.17 -0.85 -0.38 0.00 1.68 0.00 0.00 54.58 54.86 1r0s n ASN 230 Cb 0.52 -1.20 0.06 0.00 -1.54 0.00 0.00 39.78 37.62 1r0s n ASN 230 CO 0.00 0.00 0.00 -0.81 0.28 0.00 0.00 177.26 176.73 1r0s n PRO 231 N -2.92 1.28 -0.29 3.52 -0.04 -1.26 -4.52 135.00 130.77 1r0s n PRO 231 Ca -0.18 0.49 0.08 0.00 -0.04 0.00 0.00 63.50 63.84 1r0s n PRO 231 Cb 0.48 -2.49 0.19 0.00 -0.04 0.00 0.00 33.50 31.64 1r0s n PRO 231 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1r0s h ARG 232 N 0.83 0.07 -0.73 0.54 3.08 -1.99 -0.01 114.38 116.17 1r0s h ARG 232 Ca -0.51 -0.00 0.01 0.00 0.07 0.00 0.00 59.98 59.55 1r0s h ARG 232 Cb 1.33 -0.02 -0.04 0.00 0.08 0.00 0.00 29.97 31.33 1r0s h ARG 232 CO 0.54 0.05 0.48 0.00 -1.07 0.00 0.00 179.97 179.97 1r0s h ALA 233 N 1.81 1.49 -0.01 0.04 0.00 -2.00 -0.57 119.26 120.02 1r0s h ALA 233 Ca 0.47 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.32 1r0s h ALA 233 Cb 0.86 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1r0s h ALA 233 CO -0.76 0.48 -0.01 0.28 0.00 0.00 0.00 179.25 179.23 1r0s h VAL 234 N 0.98 1.48 -0.81 0.00 2.07 -1.40 -2.93 116.25 115.65 1r0s h VAL 234 Ca 0.27 -1.43 0.18 0.00 0.82 0.00 0.00 66.70 66.53 1r0s h VAL 234 Cb -0.11 2.44 -0.11 0.00 -1.52 0.00 0.00 31.29 31.99 1r0s h VAL 234 CO -0.06 0.37 0.30 0.25 0.02 0.00 0.00 177.57 178.46 1r0s h LEU 235 N -0.58 0.22 -1.04 2.57 5.85 -0.66 0.28 115.31 121.95 1r0s h LEU 235 Ca -0.00 0.14 -0.03 0.00 0.84 0.00 0.00 57.88 58.83 1r0s h LEU 235 Cb 0.62 0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.75 1r0s h LEU 235 CO 0.00 0.02 0.34 -0.26 -0.34 0.00 0.00 178.44 178.21 1r0s h PHE 236 N 0.38 1.01 -0.32 1.25 0.04 -1.11 0.45 116.94 118.64 1r0s h PHE 236 Ca 0.47 -0.04 -0.05 0.00 2.80 0.00 0.00 57.97 61.15 1r0s h PHE 236 Cb 0.82 -0.32 -0.01 0.00 2.20 0.00 0.00 35.95 38.64 1r0s h PHE 236 CO -0.18 0.74 -0.00 1.25 -0.60 0.00 0.00 178.31 179.51 1r0s h LEU 237 N 1.01 0.56 -0.85 1.54 5.85 -1.11 -0.10 115.31 122.22 1r0s h LEU 237 Ca 0.25 -0.31 -0.04 0.00 0.84 0.00 0.00 57.88 58.62 1r0s h LEU 237 Cb 0.11 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 40.95 1r0s h LEU 237 CO -0.03 0.74 0.39 -0.07 -0.34 0.00 0.00 178.44 179.12 1r0s h LEU 238 N 0.37 1.12 -1.26 2.25 3.38 0.32 -2.71 115.31 118.78 1r0s h LEU 238 Ca 0.09 -0.15 -0.06 0.00 0.09 0.00 0.00 57.88 57.85 1r0s h LEU 238 Cb 0.45 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 1r0s h LEU 238 CO 0.02 0.95 -0.17 0.00 0.09 0.00 0.00 178.44 179.33 1r0s h SER 240 N 0.27 0.20 -0.09 0.00 0.87 -0.69 0.28 113.55 114.39 1r0s h SER 240 Ca 0.05 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.62 1r0s h SER 240 Cb 0.47 -0.03 0.00 0.00 -0.44 0.00 0.00 62.40 62.40 1r0s h SER 240 CO 0.03 0.11 0.00 0.47 -0.53 0.00 0.00 176.83 176.91 1r0s n ASP 241 N -4.44 2.13 -2.72 6.23 8.00 -0.98 -4.42 116.55 120.35 1r0s n ASP 241 Ca 0.10 -1.72 -0.07 0.00 0.71 0.00 0.00 54.79 53.81 1r0s n ASP 241 Cb 0.49 -0.05 0.08 0.00 -0.02 0.00 0.00 41.12 41.62 1r0s n ASP 241 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1r0s n ASN 242 N 0.64 -2.18 0.23 -2.24 4.05 -0.12 -5.01 115.26 110.63 1r0s n ASN 242 Ca 0.17 -2.98 0.18 0.00 0.45 0.00 0.00 54.58 52.40 1r0s n ASN 242 Cb 0.44 1.59 0.86 0.00 1.23 0.00 0.00 39.78 43.90 1r0s n ASN 242 CO 0.00 0.00 0.00 1.55 -3.05 0.00 0.00 177.26 175.76 1r0s h PRO 243 N 3.21 0.00 -0.66 1.20 0.13 -0.76 -2.15 132.00 132.97 1r0s h PRO 243 Ca -0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.96 1r0s h PRO 243 Cb 1.11 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.24 1r0s h PRO 243 CO 0.12 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 177.98 1r0s n ASN 244 N -3.56 4.18 -4.77 1.44 3.02 -1.26 -4.79 115.26 109.52 1r0s n ASN 244 Ca 0.01 -2.28 -0.37 0.00 -0.03 0.00 0.00 54.58 51.92 1r0s n ASN 244 Cb 0.34 -0.52 -0.01 0.00 -0.61 0.00 0.00 39.78 38.98 1r0s n ASN 244 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1r0s s ALA 245 N -1.59 2.92 0.29 5.41 0.00 -0.81 -4.91 121.76 123.07 1r0s s ALA 245 Ca 0.47 0.90 0.04 0.00 0.00 0.00 0.00 51.96 53.37 1r0s s ALA 245 Cb 0.28 -3.37 0.66 0.00 0.00 0.00 0.00 23.12 20.69 1r0s s ALA 245 CO 0.25 -0.67 1.80 -0.09 0.00 0.00 0.00 175.76 177.06 1r0s h ARG 246 N 1.87 0.83 0.00 0.00 2.43 -1.92 0.11 114.38 117.71 1r0s h ARG 246 Ca -0.49 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 58.63 1r0s h ARG 246 Cb 1.25 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 30.61 1r0s h ARG 246 CO 0.60 0.55 0.00 0.39 -1.51 0.00 0.00 179.97 180.00 1r0s n GLU 247 N -4.71 0.06 -0.27 0.20 4.71 -1.26 -3.05 120.64 116.32 1r0s n GLU 247 Ca 0.21 0.43 0.10 0.00 -0.01 0.00 0.00 57.16 57.90 1r0s n GLU 247 Cb 0.48 -1.65 0.25 0.00 -1.01 0.00 0.00 31.44 29.51 1r0s n GLU 247 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1r0s n ARG 249 N 1.32 2.63 -3.48 0.00 1.74 -1.17 -4.97 116.66 112.73 1r0s n ARG 249 Ca 0.20 0.95 -0.33 0.00 -0.77 0.00 0.00 57.85 57.90 1r0s n ARG 249 Cb 0.56 -2.80 -0.05 0.00 -1.02 0.00 0.00 32.46 29.14 1r0s n ARG 249 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1r0s s LEU 250 N 1.84 4.25 0.00 0.55 1.43 -1.26 -5.17 118.68 120.32 1r0s s LEU 250 Ca 0.79 0.87 0.00 0.00 -1.03 0.00 0.00 54.13 54.76 1r0s s LEU 250 Cb -0.54 -3.43 0.00 0.00 0.03 0.00 0.00 46.19 42.26 1r0s s LEU 250 CO 0.36 0.02 0.26 0.00 0.23 0.00 0.00 176.35 177.22